N,n'-diphenyl-n,n'-bis(3-methylphenyl)-(1,1'-diphenyl)-4,4'-diamine
fo-e0f8d766103ef60e
Identity
- Type
- Neutral molecule
- CAS
- 65181-78-4
- EC
- 413-810-8
- Origin
- EF 3.1 hybrid_name_cas_v1
- Changes
- 55 across every transformer
Structure
Alternative labels
24- 3-Methyl-N-[4-[4-(N-(3-methylphenyl)anilino)phenyl]phenyl]-N-phenylaniline
- 4,4′-Bis[N-(3-methylphenyl)-N-phenylamino]biphenyl
- 4,4′-Bis[N-phenyl-N-(3-methylphenyl)amino]diphenyl
- [1,1′-Biphenyl]-4,4′-diamine, N,N′-bis(3-methylphenyl)-N,N′-diphenyl-
- [1,1′-Biphenyl]-4,4′-diamine, N4,N4′-bis(3-methylphenyl)-N4,N4′-diphenyl-
- N,N′-Bis(3-methylphenyl)-N,N′-diphenyl-[1,1-biphenyl]-4,4′-diamine
- N,N′-Bis(3-methylphenyl)-N,N′-diphenyl[1,1′-biphenyl]-4,4′-diamine
- N,N′-Bis(3-methylphenyl)-N,N′-diphenylbenzidine
- N,N′-Diphenyl-N,N-bis(3-methylphenyl)-1,1′-biphenyl-4,4′-diamine
- N,N′-Diphenyl-N,N′-bis(3-methylphenyl)-1,1-biphenyl-4,4′-diamine
- N,N′-Diphenyl-N,N′-bis(3-methylphenyl)-1,1′-diphenyl-4,4′-diamine
- N,N′-Diphenyl-N,N′-bis(3-methylphenyl)-p-benzidine
- N,N′-Diphenyl-N,N′-bis(3-methylphenyl)[1,1′-biphenyl]-4,4′-diamine
- N,N′-Diphenyl-N,N′-bis(3-methylphenyl)[1,1′-bisphenyl]-4,4′-diamine
- N,N′-Diphenyl-N,N′-bis(3-methylphenyl)benzidine
- N,N′-Diphenyl-N,N′-bis(m-tolyl)[1,1′-biphenyl]-4,4′-diamine
- N,N′-Diphenyl-N,N′-bis(m-tolyl)benzidine
- N,N′-Diphenyl-N,N′-di(3-methylphenyl)-4,4′-diaminobiphenyl
- N,N′-Diphenyl-N,N′-di(3-methylphenyl)benzidine
- N,N′-Diphenyl-N,N′-di(m-tolyl)benzidine
- N,N′-Diphenyl-N,N′-di-m-tolylbiphenyl-4,4′-diamine
- ST 16/1.2
- TPD
- TPD (photoreceptor)
Properties
| Property | Value |
|---|---|
| InChI2D key string chemrof:inchi2d_key_string | OGGKVJMNFFSDEV-UHFFFAOYSA-N |
| InChI2D string chemrof:inchi2d_string | InChI=1S/C38H32N2/c1-29-11-9-17-37(27-29)39(33-13-5-3-6-14-33)35-23-19-31(20-24-35)32-21-25-36(26-22-32)40(34-15-7-4-8-16-34)38-18-10-12-30(2)28-38/h3-28H,1-2H3 |
| IUPAC name chemrof:IUPAC_name | 3-Methyl-N-[4-[4-(N-(3-methylphenyl)anilino)phenyl]phenyl]-N-phenylaniline |
| Molecular formula chemrof:molecular_formula | C38H32N2 |
| Molecular mass chemrof:molecular_mass | 516.688 |
| Monoisotopic mass chemrof:monoisotopic_mass | 516.256549 |
| SMILES string chemrof:smiles_string | Cc1cccc(N(c2ccccc2)c2ccc(-c3ccc(N(c4ccccc4)c4cccc(C)c4)cc3)cc2)c1 |
Known URLs
7Where else this substance is described. Collected while the pipeline resolved it — from ChEBI's cross-references, from PubChem's identifier list, and from the CAS number — so a link here is a record the merge actually read, not a search it suggests.
| Resource | URL | Recorded by |
|---|---|---|
| CAS Common Chemistry | https://commonchemistry.cas.org/detail?cas_rn=65181-78-4 | enrich_references.pubchem_identifier_url |
| chem.echa.europa.eu | https://chem.echa.europa.eu/100.101.299 | enrich_references.pubchem_identifier_url |
| chem.echa.europa.eu | https://chem.echa.europa.eu/100.118.133 | enrich_references.pubchem_identifier_url |
| comptox.epa.gov | https://comptox.epa.gov/dashboard/DTXSID6070275 | enrich_references.pubchem_identifier_url |
| jglobal.jst.go.jp | http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J42.297E | enrich_references.pubchem_identifier_url |
| PubChem | https://pubchem.ncbi.nlm.nih.gov/compound/103315 | enrich_references.pubchem_compound |
| Wikidata | https://www.wikidata.org/wiki/Q72446467 | enrich_references.pubchem_identifier_url |
Elementary flows
13| Flow | Context | Source | Unit | CFs |
|---|---|---|---|---|
| 4309c8b7-885e-4867-8436-db5dabb52709 | Environmental → Air → Aircraft cruise height | EF 3.1 | kg | 2 |
| 5a55c2c6-b3c8-4a37-9dbd-5c35b7e88635 | Environmental → Air → Ground level → Urban (>1000 people/square mile) | EF 3.1 | kg | 2 |
| c9aa37eb-1193-4a20-b4e8-bdd3575d803b | Environmental → Air → Indoor | EF 3.1 | kg | 2 |
| 26efab6f-0557-4d94-a53d-29ff9bd3372d | Environmental → Air → Long-term | EF 3.1 | kg | 0 |
| 9621979b-1ffb-4aa8-8632-b23030edadbb | Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) | EF 3.1 | kg | 2 |
| bccd3de2-b58c-4b9d-9df6-88076b428c40 | Environmental → Air → Unknown | EF 3.1 | kg | 2 |
| 488fff5f-e67b-4c46-8f62-78573273823d | Environmental → Ground → Agricultural | EF 3.1 | kg | 2 |
| e74abb67-6171-4755-a4d4-6622963c5e87 | Environmental → Ground → Non-agricultural | EF 3.1 | kg | 2 |
| 1ad4de7e-56eb-4811-9c6c-f064f3776e55 | Environmental → Ground → Unknown | EF 3.1 | kg | 2 |
| 6900be2e-adc4-406f-83a9-93dabf4409a1 | Environmental → Water → Long-term | EF 3.1 | kg | 0 |
| 41b74c77-3435-4508-a682-bbee88957c4a | Environmental → Water → Ocean | EF 3.1 | kg | 2 |
| 64bc24d5-e97c-4108-aad9-7bdbb1d2d929 | Environmental → Water → Surface water | EF 3.1 | kg | 2 |
| 445d54dd-e760-4c27-a383-0c87362663c0 | Environmental → Water → Unknown | EF 3.1 | kg | 2 |
History
Everything that changed this substance (55 changes)
Full record
Flow object JSON
{
"flow_object_id": "fo-e0f8d766103ef60e",
"prefLabel": [
{
"@value": "N,n'-diphenyl-n,n'-bis(3-methylphenyl)-(1,1'-diphenyl)-4,4'-diamine",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "bootstrap_labels",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"EF 3.1"
],
"prov:wasDerivedFrom": "legacy name field"
}
}
],
"altLabel": [
{
"@value": "3-Methyl-N-[4-[4-(N-(3-methylphenyl)anilino)phenyl]phenyl]-N-phenylaniline",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:65181-78-4",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=65181-78-4"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "4,4′-Bis[N-(3-methylphenyl)-N-phenylamino]biphenyl",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:65181-78-4",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=65181-78-4"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "4,4′-Bis[N-phenyl-N-(3-methylphenyl)amino]diphenyl",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:65181-78-4",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=65181-78-4"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "[1,1′-Biphenyl]-4,4′-diamine, N,N′-bis(3-methylphenyl)-N,N′-diphenyl-",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:65181-78-4",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=65181-78-4"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "[1,1′-Biphenyl]-4,4′-diamine, N4,N4′-bis(3-methylphenyl)-N4,N4′-diphenyl-",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:65181-78-4",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=65181-78-4"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "N,N′-Bis(3-methylphenyl)-N,N′-diphenyl-[1,1-biphenyl]-4,4′-diamine",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:65181-78-4",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=65181-78-4"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "N,N′-Bis(3-methylphenyl)-N,N′-diphenyl[1,1′-biphenyl]-4,4′-diamine",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:65181-78-4",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=65181-78-4"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "N,N′-Bis(3-methylphenyl)-N,N′-diphenylbenzidine",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:65181-78-4",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=65181-78-4"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "N,N′-Diphenyl-N,N-bis(3-methylphenyl)-1,1′-biphenyl-4,4′-diamine",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:65181-78-4",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=65181-78-4"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "N,N′-Diphenyl-N,N′-bis(3-methylphenyl)-1,1-biphenyl-4,4′-diamine",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:65181-78-4",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=65181-78-4"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "N,N′-Diphenyl-N,N′-bis(3-methylphenyl)-1,1′-diphenyl-4,4′-diamine",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:65181-78-4",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=65181-78-4"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "N,N′-Diphenyl-N,N′-bis(3-methylphenyl)-p-benzidine",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:65181-78-4",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=65181-78-4"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "N,N′-Diphenyl-N,N′-bis(3-methylphenyl)[1,1′-biphenyl]-4,4′-diamine",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:65181-78-4",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=65181-78-4"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "N,N′-Diphenyl-N,N′-bis(3-methylphenyl)[1,1′-bisphenyl]-4,4′-diamine",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:65181-78-4",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=65181-78-4"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "N,N′-Diphenyl-N,N′-bis(3-methylphenyl)benzidine",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:65181-78-4",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=65181-78-4"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "N,N′-Diphenyl-N,N′-bis(m-tolyl)[1,1′-biphenyl]-4,4′-diamine",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:65181-78-4",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=65181-78-4"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "N,N′-Diphenyl-N,N′-bis(m-tolyl)benzidine",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:65181-78-4",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=65181-78-4"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "N,N′-Diphenyl-N,N′-di(3-methylphenyl)-4,4′-diaminobiphenyl",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:65181-78-4",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=65181-78-4"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "N,N′-Diphenyl-N,N′-di(3-methylphenyl)benzidine",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:65181-78-4",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=65181-78-4"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "N,N′-Diphenyl-N,N′-di(m-tolyl)benzidine",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:65181-78-4",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=65181-78-4"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "N,N′-Diphenyl-N,N′-di-m-tolylbiphenyl-4,4′-diamine",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:65181-78-4",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=65181-78-4"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "ST 16/1.2",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:65181-78-4",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=65181-78-4"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "TPD",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:65181-78-4",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=65181-78-4"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "TPD (photoreceptor)",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:65181-78-4",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=65181-78-4"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
}
],
"properties": {
"https://w3id.org/chemrof/molecular_formula": {
"@id": "https://w3id.org/chemrof/molecular_formula",
"@value": [
"C38H32N2"
],
"attested_by": {
"C38H32N2": [
"enrich_references.pubchem_semantic",
"rdkit_post_consensus"
]
},
"rdfs:label": "Molecular formula",
"provenance": [
{
"prov:wasGeneratedBy": "enrich_references.pubchem_semantic",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:103315"
],
"prov:wasDerivedFrom": "pubchem.props.Molecular Formula"
},
{
"prov:wasGeneratedBy": "rdkit_post_consensus",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"Cc1cccc(N(c2ccccc2)c2ccc(-c3ccc(N(c4ccccc4)c4cccc(C)c4)cc3)cc2)c1"
]
}
]
},
"https://w3id.org/chemrof/inchi2d_key_string": {
"@id": "https://w3id.org/chemrof/inchi2d_key_string",
"@value": [
"OGGKVJMNFFSDEV-UHFFFAOYSA-N"
],
"attested_by": {
"OGGKVJMNFFSDEV-UHFFFAOYSA-N": [
"enrich_references.pubchem_semantic",
"rdkit_post_consensus"
]
},
"rdfs:label": "InChIKey",
"provenance": [
{
"prov:wasGeneratedBy": "enrich_references.pubchem_semantic",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:103315"
],
"prov:wasDerivedFrom": "pubchem.props.InChIKey"
},
{
"prov:wasGeneratedBy": "rdkit_post_consensus",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"Cc1cccc(N(c2ccccc2)c2ccc(-c3ccc(N(c4ccccc4)c4cccc(C)c4)cc3)cc2)c1"
]
}
]
},
"https://w3id.org/chemrof/smiles_string": {
"@id": "https://w3id.org/chemrof/smiles_string",
"rdfs:label": "SMILES",
"@value": [
"Cc1cccc(N(c2ccccc2)c2ccc(-c3ccc(N(c4ccccc4)c4cccc(C)c4)cc3)cc2)c1"
],
"provenance": [
{
"prov:wasGeneratedBy": "opsin_iupac",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"3-Methyl-N-[4-[4-(N-(3-methylphenyl)anilino)phenyl]phenyl]-N-phenylaniline"
]
},
{
"prov:wasGeneratedBy": "rdkit_post_consensus",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"Cc1cccc(N(c2ccccc2)c2ccc(-c3ccc(N(c4ccccc4)c4cccc(C)c4)cc3)cc2)c1"
]
}
],
"attested_by": {
"Cc1cccc(N(c2ccccc2)c2ccc(-c3ccc(N(c4ccccc4)c4cccc(C)c4)cc3)cc2)c1": [
"opsin_iupac",
"rdkit_post_consensus"
]
}
},
"https://w3id.org/chemrof/inchi2d_string": {
"@id": "https://w3id.org/chemrof/inchi2d_string",
"rdfs:label": "InChI",
"@value": [
"InChI=1S/C38H32N2/c1-29-11-9-17-37(27-29)39(33-13-5-3-6-14-33)35-23-19-31(20-24-35)32-21-25-36(26-22-32)40(34-15-7-4-8-16-34)38-18-10-12-30(2)28-38/h3-28H,1-2H3"
],
"provenance": [
{
"prov:wasGeneratedBy": "opsin_iupac",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"3-Methyl-N-[4-[4-(N-(3-methylphenyl)anilino)phenyl]phenyl]-N-phenylaniline"
]
},
{
"prov:wasGeneratedBy": "rdkit_post_consensus",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"Cc1cccc(N(c2ccccc2)c2ccc(-c3ccc(N(c4ccccc4)c4cccc(C)c4)cc3)cc2)c1"
]
}
],
"attested_by": {
"InChI=1S/C38H32N2/c1-29-11-9-17-37(27-29)39(33-13-5-3-6-14-33)35-23-19-31(20-24-35)32-21-25-36(26-22-32)40(34-15-7-4-8-16-34)38-18-10-12-30(2)28-38/h3-28H,1-2H3": [
"opsin_iupac",
"rdkit_post_consensus"
]
}
},
"https://w3id.org/chemrof/IUPAC_name": {
"@id": "https://w3id.org/chemrof/IUPAC_name",
"rdfs:label": "IUPAC name",
"@value": [
"3-Methyl-N-[4-[4-(N-(3-methylphenyl)anilino)phenyl]phenyl]-N-phenylaniline"
],
"provenance": {
"prov:wasGeneratedBy": "opsin_iupac",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"3-Methyl-N-[4-[4-(N-(3-methylphenyl)anilino)phenyl]phenyl]-N-phenylaniline"
]
},
"attested_by": {
"3-Methyl-N-[4-[4-(N-(3-methylphenyl)anilino)phenyl]phenyl]-N-phenylaniline": [
"opsin_iupac"
]
}
},
"https://w3id.org/chemrof/molecular_mass": {
"@id": "https://w3id.org/chemrof/molecular_mass",
"rdfs:label": "Molecular mass",
"@value": [
516.688
],
"provenance": [
{
"prov:wasGeneratedBy": "rdkit_pre_consensus",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CC1=CC(=CC=C1)N(C2=CC=CC=C2)C3=CC=C(C=C3)C4=CC=C(C=C4)N(C5=CC=CC=C5)C6=CC=CC(=C6)C"
]
},
{
"prov:wasGeneratedBy": "rdkit_post_consensus",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"Cc1cccc(N(c2ccccc2)c2ccc(-c3ccc(N(c4ccccc4)c4cccc(C)c4)cc3)cc2)c1"
]
}
],
"attested_by": {
"516.688": [
"rdkit_post_consensus",
"rdkit_pre_consensus"
]
},
"http://qudt.org/schema/qudt/hasUnit": "https://vocab.brightway.one/units/unit/GM-PER-MOL"
},
"https://w3id.org/chemrof/monoisotopic_mass": {
"@id": "https://w3id.org/chemrof/monoisotopic_mass",
"rdfs:label": "Monoisotopic mass",
"@value": [
516.256549
],
"provenance": [
{
"prov:wasGeneratedBy": "rdkit_pre_consensus",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CC1=CC(=CC=C1)N(C2=CC=CC=C2)C3=CC=C(C=C3)C4=CC=C(C=C4)N(C5=CC=CC=C5)C6=CC=CC(=C6)C"
]
},
{
"prov:wasGeneratedBy": "rdkit_post_consensus",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"Cc1cccc(N(c2ccccc2)c2ccc(-c3ccc(N(c4ccccc4)c4cccc(C)c4)cc3)cc2)c1"
]
}
],
"attested_by": {
"516.256549": [
"rdkit_post_consensus",
"rdkit_pre_consensus"
]
},
"http://qudt.org/schema/qudt/hasUnit": "https://vocab.brightway.one/units/unit/GM-PER-MOL"
}
},
"references": [
{
"@id": "http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J42.297E",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:103315;CAS:65181-78-4"
],
"prov:wasDerivedFrom": "pubchem.identifiers[65181-78-4]"
}
},
{
"@id": "https://chem.echa.europa.eu/100.101.299",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:103315;CAS:65181-78-4"
],
"prov:wasDerivedFrom": "pubchem.identifiers[65181-78-4]"
}
},
{
"@id": "https://chem.echa.europa.eu/100.118.133",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:103315;CAS:65181-78-4"
],
"prov:wasDerivedFrom": "pubchem.identifiers[65181-78-4]"
}
},
{
"@id": "https://commonchemistry.cas.org/detail?cas_rn=65181-78-4",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:103315;CAS:65181-78-4"
],
"prov:wasDerivedFrom": "pubchem.identifiers[65181-78-4]"
}
},
{
"@id": "https://comptox.epa.gov/dashboard/DTXSID6070275",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:103315;CAS:65181-78-4"
],
"prov:wasDerivedFrom": "pubchem.identifiers[65181-78-4]"
}
},
{
"@id": "https://pubchem.ncbi.nlm.nih.gov/compound/103315",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_compound",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:103315;CAS:65181-78-4"
],
"prov:wasDerivedFrom": "pubchem.by_cas[65181-78-4]"
}
},
{
"@id": "https://www.wikidata.org/wiki/Q72446467",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:103315;CAS:65181-78-4"
],
"prov:wasDerivedFrom": "pubchem.identifiers[65181-78-4]"
}
}
],
"created_from": {
"resolver": "hybrid_name_cas_v1",
"seed_uuid": "1ad4de7e-56eb-4811-9c6c-f064f3776e55",
"seed_source": "EF 3.1",
"semantic_typing": {
"rule": "neutral_molecule",
"reason": "",
"types": [
"https://w3id.org/chemrof/NeutralMolecule"
],
"provenance": {
"prov:wasGeneratedBy": "semantic_typing.classify",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:wasDerivedFrom": "semantic_typing.rule.neutral_molecule"
}
}
},
"classifications": {
"http://semanticscience.org/resource/CHEMINF_000446": {
"@value": [
"65181-78-4"
],
"rdfs:seeAlso": [
"https://commonchemistry.cas.org/detail?cas_rn=65181-78-4"
],
"http://www.w3.org/2004/02/skos/core#exactMatch": [
{
"@id": "https://commonchemistry.cas.org/detail?cas_rn=65181-78-4"
}
],
"provenance": {
"prov:wasGeneratedBy": "hybrid_name_cas_v1",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"EF 3.1"
],
"prov:wasDerivedFrom": "cas_numbers"
}
},
"http://semanticscience.org/resource/CHEMINF_000447": {
"@value": [
"413-810-8"
],
"rdfs:seeAlso": [
"https://echa.europa.eu/search-for-chemicals?query=413-810-8"
],
"provenance": {
"prov:wasGeneratedBy": "hybrid_name_cas_v1",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"EF 3.1"
],
"prov:wasDerivedFrom": "ec_numbers"
}
}
},
"origin_qualifier": null,
"parent_flow_object_id": null,
"parent_intervention_id": null,
"@type": [
"https://w3id.org/chemrof/NeutralMolecule"
]
}Something wrong here?
- This substance is published under the wrong name
- This is not that chemical
- This record is two substances, or it is a second copy of one
You do not need to run a build or clone anything. Name the record and say what your evidence is; the measurement is done for you. How contributing works