Basic information
- CAS
116164-46-6- Standard SMILES
O=C1c2cccc(Nc3ccccc3-c3ccccc3)c2C(=O)c2cccc(Nc3ccccc3-c3ccccc3)c21- InChIKey
SXCLVGFSJVKIIY-UHFFFAOYSA-N- Molecular formula
- C38H26N2O2
- Average molar mass
- 542.6 g/mol
- Monoisotopic mass
- 542.19942808
Names & identifiers
- Preferred name
- 1,5-Bis[([1,1'-biphenyl]-2-yl)amino]anthracene-9,10-dione
- IUPAC
- 1,5-bis(2-phenylanilino)anthracene-9,10-dione
Names & synonyms
116164-46-61,5-Bis([1,1'-biphenyl]-2-ylamino)anthracene-9,10-dioneSCHEMBL10732067DTXSID906031851,5-Bis[([1,1'-biphenyl]-2-yl)amino]anthracene-9,10-dione
Database identifiers
- CAS
116164-46-6- PubChem CID
- 20163326
- DTXSID
DTXSID90603185
Properties
Computed structural properties
- XLogP
- 10.3
- Topological polar surface area
- 58.2 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 42
- Formal charge
- 0
- Complexity
- 848
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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