Basic information
- Standard SMILES
CCN(CC)c1ccc(C(c2ccc(N(C)C)cc2C(=O)O)c2ccc(N(C)C)cc2N(C)C)cc1- InChIKey
VCBWJIXQKKVTNU-UHFFFAOYSA-N- Molecular formula
- C30H40N4O2
- Average molar mass
- 488.7 g/mol
- Monoisotopic mass
- 488.31512653
Names & identifiers
- Preferred name
- 2-[2,4-Bis(dimethylamino)-4'-diethylaminobenzhydryl]-5-dimethylaminobenzoic acid
- IUPAC
- 2-[[2,4-bis(dimethylamino)phenyl]-[4-(diethylamino)phenyl]methyl]-5-(dimethylamino)benzoic acid
Names & synonyms
SCHEMBL10691570VCBWJIXQKKVTNU-UHFFFAOYSA-N2-[2,4-bis(dimethylamino)-4'-diethylaminobenzhydryl]-5-dimethylaminobenzoic acid
Database identifiers
- PubChem CID
- 20147814
Properties
Computed structural properties
- XLogP
- 6
- Topological polar surface area
- 50.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 10
- Heavy atoms
- 36
- Formal charge
- 0
- Complexity
- 672
Related reactions
5 records
Compound notes
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