4-(4,6-bis((biphenyl-4-yl)-1,3,5-triazine-2-yl)-1,3-benzodiole
fo-3d6bc51c9eaa3817
Identity
- Type
- Neutral molecule
- CAS
- 182918-16-7
- EC
- 485-420-6
- Origin
- EF 3.1 hybrid_name_cas_v1
- Changes
- 53 across every transformer
Structure
Alternative labels
2- 1,3-Benzenediol, 4-[4,6-bis([1,1′-biphenyl]-4-yl)-1,3,5-triazin-2-yl]-
- 4-[4,6-Bis([1,1′-biphenyl]-4-yl)-1,3,5-triazin-2-yl]-1,3-benzenediol
Properties
| Property | Value |
|---|---|
| InChI2D key string chemrof:inchi2d_key_string | RLTVFGXWHJQNHK-UHFFFAOYSA-N |
| InChI2D string chemrof:inchi2d_string | InChI=1S/C33H23N3O2/c37-28-19-20-29(30(38)21-28)33-35-31(26-15-11-24(12-16-26)22-7-3-1-4-8-22)34-32(36-33)27-17-13-25(14-18-27)23-9-5-2-6-10-23/h1-21,37-38H |
| IUPAC name chemrof:IUPAC_name | 1,3-Benzenediol, 4-[4,6-bis([1,1′-biphenyl]-4-yl)-1,3,5-triazin-2-yl]- |
| Molecular formula chemrof:molecular_formula | C33H23N3O2 |
| Molecular mass chemrof:molecular_mass | 493.566 |
| Monoisotopic mass chemrof:monoisotopic_mass | 493.179027 |
| SMILES string chemrof:smiles_string | Oc1ccc(-c2nc(-c3ccc(-c4ccccc4)cc3)nc(-c3ccc(-c4ccccc4)cc3)n2)c(O)c1 |
Known URLs
5Where 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=182918-16-7 | enrich_references.pubchem_identifier_url |
| chem.echa.europa.eu | https://chem.echa.europa.eu/100.128.546 | enrich_references.pubchem_identifier_url |
| comptox.epa.gov | https://comptox.epa.gov/dashboard/DTXSID10710229 | enrich_references.pubchem_identifier_url |
| jglobal.jst.go.jp | http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J3.710.286E | enrich_references.pubchem_identifier_url |
| PubChem | https://pubchem.ncbi.nlm.nih.gov/compound/135685720 | enrich_references.pubchem_compound |
Elementary flows
13| Flow | Context | Source | Unit | CFs |
|---|---|---|---|---|
| 42540897-6ba8-4895-9330-962f77af3187 | Environmental → Air → Aircraft cruise height | EF 3.1 | kg | 4 |
| 87725f40-51ed-4bab-851a-2808835e1905 | Environmental → Air → Ground level → Urban (>1000 people/square mile) | EF 3.1 | kg | 4 |
| b6d589f6-6134-49a9-bc88-251a3e7adc99 | Environmental → Air → Indoor | EF 3.1 | kg | 4 |
| 156ed5af-2a3b-4fb1-bb24-fbab6d253bd4 | Environmental → Air → Long-term | EF 3.1 | kg | 0 |
| 891db36c-8b9c-4692-b345-1ccc11a180af | Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) | EF 3.1 | kg | 4 |
| 652fbb06-881c-4cf2-91ca-c32679963a15 | Environmental → Air → Unknown | EF 3.1 | kg | 4 |
| 010fd023-7b52-4da6-b02a-4a1bb5b9921b | Environmental → Ground → Agricultural | EF 3.1 | kg | 4 |
| 8f9cd237-c29b-4b1b-866a-f30ef3e93461 | Environmental → Ground → Non-agricultural | EF 3.1 | kg | 4 |
| aad867b2-aa49-496a-ba46-471e158642a2 | Environmental → Ground → Unknown | EF 3.1 | kg | 4 |
| 734b249d-7c09-4108-a20a-20d48bc34bcc | Environmental → Water → Long-term | EF 3.1 | kg | 0 |
| 2ab6ef32-9283-408f-bd8a-93c599461d2b | Environmental → Water → Ocean | EF 3.1 | kg | 4 |
| 9fed5a20-edf4-442f-b3d6-9d42f4f05d26 | Environmental → Water → Surface water | EF 3.1 | kg | 4 |
| 4da3267f-ef5d-4e42-abd5-a61a95321ca7 | Environmental → Water → Unknown | EF 3.1 | kg | 4 |
History
Everything that changed this substance (53 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