Molecule ID: 25113438

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

Description: The molecule is a hydrochloride obtained by combining Hoffman's violet free base with one molar equivalent of hydrogen chloride. A specific stain for animal chromosomes. It has a role as a fluorochrome and a histological dye.

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

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].[Cl]

InChI: InChI=1S/C26H31N3.ClH/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;1H

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