2,9-bis(2-phenylethyl)isoquino[4',5',6':6,5,10]anthra[2,1,9-def]isoquinoline-1,3,8,10(2h,9h)-tetrone
fo-ddcb9211f7dc6f25
Identity
- Type
- Neutral molecule
- CAS
- 67075-37-0
- EC
- 266-564-7
- Origin
- EF 3.1 hybrid_name_cas_v1
- Changes
- 54 across every transformer
Structure
![Structure diagram for 2,9-bis(2-phenylethyl)isoquino[4',5',6':6,5,10]anthra[2,1,9-def]isoquinoline-1,3,8,10(2h,9h)-tetrone](/flow-objects/fo-ddcb9211f7dc6f25/structure.svg)
Alternative labels
20- 2,9-Bis(2-phenylethyl)anthra[2,1,9-def:6,5,10-d'e'f′]diisoquinoline-1,3,8,10(2H,9H)-tetrone
- 2,9-Diphenethylanthra[2,1,9-def:6,5,10-d'e'f′]diisoquinoline-1,3,8,10(2H,9H)-tetraone
- Anthra[2,1,9-def:6,5,10-d'e'f′]diisoquinoline-1,3,8,10(2H,9H)-tetrone, 2,9-bis(2-phenylethyl)-
- Black S 0084
- C.I. Pigment Black 31
- N,N′-Bis(2-phenethyl)perylene-3,4:9,10-bis(dicarboximide)
- N,N′-Bis(2-phenylethyl)-3,4:9,10-perylenetetracarboxylic diimide
- N,N′-Bis(2-phenylethyl)perylene-3,4,9,10-dicarboximide
- N,N′-Bis(2-phenylethyl)perylene-3,4:9,10-bis(dicarboximide)
- N,N′-Bis-(2-phenylethyl)pyrene-3,4,9,10-dicarbodiimide
- N,N′-Diphenethyl-3,4,9,10-perylenetetracarboxylic diimide
- Paliogen Black L 0084
- Paliogen Black S 0084
- Paliogen S 0084
- Pallogen Black S 0084
- PEPTC
- Perylene-3,4:9,10-tetracarboxylic acid bis(β-phenylethylimide)
- Pigment Black 31
- PPEI
- Spectrasense Black S 0084
Properties
| Property | Value |
|---|---|
| InChI2D key string chemrof:inchi2d_key_string | IIKSFQIOFHBWSO-UHFFFAOYSA-N |
| InChI2D string chemrof:inchi2d_string | InChI=1S/C40H26N2O4/c43-37-29-15-11-25-27-13-17-31-36-32(40(46)42(39(31)45)22-20-24-9-5-2-6-10-24)18-14-28(34(27)36)26-12-16-30(35(29)33(25)26)38(44)41(37)21-19-23-7-3-1-4-8-23/h1-18H,19-22H2 |
| IUPAC name chemrof:IUPAC_name | 2,9-bis(2-phenylethyl)isoquino[4',5',6':6,5,10]anthra[2,1,9-def]isoquinoline-1,3,8,10(2h,9h)-tetrone |
| Molecular formula chemrof:molecular_formula | C40H26N2O4 |
| Molecular mass chemrof:molecular_mass | 598.658 |
| Monoisotopic mass chemrof:monoisotopic_mass | 598.189257 |
| SMILES string chemrof:smiles_string | O=C1c2ccc3c4ccc5c6c(ccc(c7ccc(c2c37)C(=O)N1CCc1ccccc1)c64)C(=O)N(CCc1ccccc1)C5=O |
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=67075-37-0 | enrich_references.consensus_cas_link |
| chem.echa.europa.eu | https://chem.echa.europa.eu/100.060.494 | enrich_references.pubchem_identifier_url |
| comptox.epa.gov | https://comptox.epa.gov/dashboard/DTXSID6070485 | enrich_references.pubchem_identifier_url |
| gsrs.ncats.nih.gov | https://gsrs.ncats.nih.gov/ginas/app/beta/substances/S6T4B88FST | enrich_references.pubchem_identifier_url |
| jglobal.jst.go.jp | http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J213.083A | enrich_references.pubchem_identifier_url |
| PubChem | https://pubchem.ncbi.nlm.nih.gov/compound/105396 | enrich_references.pubchem_compound |
| Wikidata | https://www.wikidata.org/wiki/Q81997805 | enrich_references.pubchem_identifier_url |
Elementary flows
13| Flow | Context | Source | Unit | CFs |
|---|---|---|---|---|
| fe834923-b076-4268-a4a5-9d76afe4b701 | Environmental → Air → Aircraft cruise height | EF 3.1 | kg | 4 |
| 91469e25-7631-4a86-a426-fc785801b869 | Environmental → Air → Ground level → Urban (>1000 people/square mile) | EF 3.1 | kg | 4 |
| 63e2240a-a0a2-4fb3-9a77-8d16de4838b8 | Environmental → Air → Indoor | EF 3.1 | kg | 4 |
| 8144b4b5-b5be-4e9b-8c87-feb7dd947832 | Environmental → Air → Long-term | EF 3.1 | kg | 0 |
| 47a348f7-63c2-4f30-a016-c98048e137a8 | Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) | EF 3.1 | kg | 4 |
| 717d42cf-b3de-4cb9-82f1-00930e73ca3a | Environmental → Air → Unknown | EF 3.1 | kg | 4 |
| af61cf9c-7483-4087-8ed1-94e4472a5d04 | Environmental → Ground → Agricultural | EF 3.1 | kg | 4 |
| b42f40ee-fae4-4814-a639-e60219700001 | Environmental → Ground → Non-agricultural | EF 3.1 | kg | 4 |
| bcfb559a-46b3-41b2-a180-9069a8d28185 | Environmental → Ground → Unknown | EF 3.1 | kg | 4 |
| d142874e-edee-4fa1-9870-79eca5f4418a | Environmental → Water → Long-term | EF 3.1 | kg | 0 |
| 1f4e8a6d-c607-4d30-8846-42fb963e4aa8 | Environmental → Water → Ocean | EF 3.1 | kg | 4 |
| 2552d739-7f0d-473f-93f6-d404c72c1e36 | Environmental → Water → Surface water | EF 3.1 | kg | 4 |
| b1b15112-391d-402f-a397-f93a83bac141 | Environmental → Water → Unknown | EF 3.1 | kg | 4 |
History
Everything that changed this substance (54 changes)
Full record
Flow object JSON
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}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