Molecule ID: 10049441

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

Description: The molecule is an organic cation consisting of 7-(4-methylanilino)phenazine carrying additional methyl, amino and phenyl 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 a member of phenazines and an organic cation.

SMILES: Cc1ccc(Nc2ccc3nc4cc(C)c(N)cc4[n+](-c4ccccc4)c3c2)cc1

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

InChI: InChI=1S/C26H22N4/c1-17-8-10-19(11-9-17)28-20-12-13-23-25(15-20)30(21-6-4-3-5-7-21)26-16-22(27)18(2)14-24(26)29-23/h3-16H,1-2H3,(H2,27,28)/p+1

Molecular Properties:
- Polar Surface Area: 54.8 Ų
- LogP: 6.0