1-Hydroxy-2,4-bis(phenylamino)anthraquinone
Basic information
- CAS
81-70-9- Standard SMILES
O=C1c2ccccc2C(=O)c2c(O)c(Nc3ccccc3)cc(Nc3ccccc3)c21- InChIKey
PEMIJWTVSXCRRB-UHFFFAOYSA-N- Molecular formula
- C26H18N2O3
- Average molar mass
- 406.4 g/mol
- Monoisotopic mass
- 406.13174244
Names & identifiers
- Preferred name
- 1-Hydroxy-2,4-bis(phenylamino)anthraquinone
- IUPAC
- 2,4-dianilino-1-hydroxyanthracene-9,10-dione
- English name
- 1-hydroxy-2,4-bis(phenylamino)anthraquinone
- Molecular formula
- C26H18N2O3
- Molecular weight
- 406.43272
Names & synonyms
1-Hydroxy-2,4-bis(phenylamino)anthraquinone81-70-9EINECS 201-371-32,4-dianilino-1-hydroxyanthracene-9,10-dioneNA5WGT42R41-Hydroxy-2,4-bis(phenylamino)-9,10-anthracenedione9,10-Anthracenedione, 1-hydroxy-2,4-bis(phenylamino)-DTXSID40230844PEMIJWTVSXCRRB-UHFFFAOYSA-NNS000381491-hydroxy-2,4-bis(phenylamino)-9,10-anthraquinone
Database identifiers
- CAS
81-70-9- PubChem CID
- 66487
- DTXSID
DTXSID40230844- UNII
- NA5WGT42R4
- EC Number
- 201-371-3
- Nikkaji
- J192.591A
Properties
Computed structural properties
- XLogP
- 6.7
- Topological polar surface area
- 78.4 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 655
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Compound notes
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