Basic information
- Standard SMILES
Cc1ccc(Nc2ccc(Sc3ccccc3)c3c2C(=O)c2ccccc2C3=O)cc1[N+](=O)[O-]- InChIKey
PFAPTICPEXHVQO-UHFFFAOYSA-N- Molecular formula
- C27H18N2O4S
- Average molar mass
- 466.5 g/mol
Names & identifiers
- Preferred name
- 1-(4'-Methyl-3'-nitrophenylamino)-4-phenylmercaptoanthraquinone
- IUPAC
- 1-(4-methyl-3-nitroanilino)-4-phenylsulfanylanthracene-9,10-dione
Names & synonyms
SCHEMBL11580894PFAPTICPEXHVQO-UHFFFAOYSA-N1-(4'-methyl-3'-nitrophenylamino)-4-phenylmercaptoanthraquinone
Database identifiers
- PubChem CID
- 22759191
Properties
Computed structural properties
- XLogP
- 7.2
- Topological polar surface area
- 117 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 4
- Heavy atoms
- 34
- Formal charge
- 0
- Complexity
- 779
Related reactions
2 records
Compound notes
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