Molecule ID: 10412127

IUPAC Name: 3,6-dimethyl-8-N-(4-methylphenyl)-10-phenylphenazin-10-ium-2,8-diamine

Description: The molecule is an organic cation consisting of 1,8-dimethyl-3-(4-methylanilino)phenazine carrying additional phenyl and amino substituents at positions 5 and 7 respectively. One of four components of mauvaine, a syntheteic violet-coloured dye. It has a role as a histological dye. It is an organic cation and a member of phenazines.

SMILES: Cc1ccc(Nc2cc(C)c3nc4cc(C)c(N)cc4[n+](-c4ccccc4)c3c2)cc1

SELFIES: [C][C][=C][C][=C][Branch2][Ring2][O][N][C][=C][C][Branch1][C][C][=C][N][=C][C][=C][Branch1][C][C][C][Branch1][C][N][=C][C][Ring1][Branch2][=N+1][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring2][Ring1][C][=C][Ring2][Ring1][#Branch1][C][=C][Ring2][Ring1][=C]

InChI: InChI=1S/C27H24N4/c1-17-9-11-20(12-10-17)29-21-13-19(3)27-26(15-21)31(22-7-5-4-6-8-22)25-16-23(28)18(2)14-24(25)30-27/h4-16H,1-3H3,(H2,28,29)/p+1

Molecular Properties:
- Polar Surface Area: 54.8 Ų
- LogP: 6.4