Molecule ID: 458937

IUPAC Name: N-ethyl-4-[[4-(ethylamino)phenyl]-(4-ethylimino-3-methylcyclohexa-2,5-dien-1-ylidene)methyl]aniline

Description: The molecule is a aromatic amine, the hydrochloride salt of which is the histological dye 'Hoffman's violet' (used as a specific stain for animal chromosomes). It has a role as a histological dye and a fluorochrome. It is an imine, a secondary amino compound, an aromatic amine and an olefinic compound. It is a conjugate base of a Hoffman's violet(1+).

SMILES: CCN=C1C=CC(=C(c2ccc(NCC)cc2)c2ccc(NCC)cc2)C=C1C

SELFIES: [C][C][N][=C][C][=C][C][=Branch2][Ring1][=C][=C][Branch1][=C][C][=C][C][=C][Branch1][Ring2][N][C][C][C][=C][Ring1][=Branch2][C][=C][C][=C][Branch1][Ring2][N][C][C][C][=C][Ring1][=Branch2][C][=C][Ring2][Ring1][=Branch2][C]

InChI: InChI=1S/C26H31N3/c1-5-27-23-13-8-20(9-14-23)26(21-10-15-24(16-11-21)28-6-2)22-12-17-25(29-7-3)19(4)18-22/h8-18,27-28H,5-7H2,1-4H3

Molecular Properties:
- Polar Surface Area: 36.4 Ų
- LogP: 6.1