3-[Bis[4-(dimethylamino)phenyl]methylidene]-6-oxocyclohexa-1,4-diene-1-carboxylic acid
Basic information
- CAS
10134-62-0- Standard SMILES
CN(C)c1ccc(C(=C2C=CC(=[N+](C)C)C=C2)c2ccc(O)c(C(=O)[O-])c2)cc1- InChIKey
LUORLSVZCKSBSO-UHFFFAOYSA-N- Molecular formula
- C24H24N2O3
- Average molar mass
- 388.5 g/mol
- Monoisotopic mass
- 388.17869263
Names & identifiers
- Preferred name
- 3-[Bis[4-(dimethylamino)phenyl]methylidene]-6-oxocyclohexa-1,4-diene-1-carboxylic acid
- IUPAC
- 3-[bis[4-(dimethylamino)phenyl]methylidene]-6-oxocyclohexa-1,4-diene-1-carboxylic acid
- English name
- N-[4-[(3-Carboxylato-4-hydroxyphenyl)[4-(dimethylamino)phenyl]methylene]-2,5-cyclohexadien-1-ylidene]-N-methylmethanaminium
- Molecular formula
- C24H24N2O3
- Molecular weight
- 388.47
Names & synonyms
C.I.43500N-[4-[(3-Carboxylato-4-hydroxyphenyl)[4-(dimethylamino)phenyl]methylene]-2,5-cyclohexadien-1-ylidene]-N-methylmethanaminium
Database identifiers
- CAS
10134-62-0- PubChem CID
- 71434430
- Nikkaji
- J79.226H
Properties
Computed structural properties
- XLogP
- 5.1
- Topological polar surface area
- 60.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 686
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Compound notes
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