Molecule ID: 91828234

IUPAC Name: 3-methyl-8-N,10-bis(4-methylphenyl)phenazin-10-ium-2,8-diamine

Description: The molecule is an organic cation consisting of 7-(4-methylanilino)phenazine carrying additional methyl, amino and 4-methylphenyl substituents at positions 2, 3 and 5 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(Nc2ccc3nc4cc(C)c(N)cc4[n+](-c4ccc(C)cc4)c3c2)cc1

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

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

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