2-Propen-1-one, 3-(4-nitrophenyl)-1-[4-(phenylamino)phenyl]-
Basic information
- CAS
88681-23-6- Standard SMILES
O=C(C=Cc1ccc([N+](=O)[O-])cc1)c1ccc(Nc2ccccc2)cc1- InChIKey
UBKUARZVZVGCKF-UHFFFAOYSA-N- Molecular formula
- C21H16N2O3
- Average molar mass
- 344.4 g/mol
- Monoisotopic mass
- 344.11609238
Names & identifiers
- Preferred name
- 2-Propen-1-one, 3-(4-nitrophenyl)-1-[4-(phenylamino)phenyl]-
- IUPAC
- 1-(4-anilinophenyl)-3-(4-nitrophenyl)prop-2-en-1-one
Names & synonyms
2-Propen-1-one, 3-(4-nitrophenyl)-1-[4-(phenylamino)phenyl]-88681-23-61-(4-anilinophenyl)-3-(4-nitrophenyl)prop-2-en-1-oneDTXSID00397922
Database identifiers
- CAS
88681-23-6- PubChem CID
- 3912438
- DTXSID
DTXSID00397922
Properties
Computed structural properties
- XLogP
- 4.5
- Topological polar surface area
- 74.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 492
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Compound notes
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