Molecule ID: 91828235

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

Description: The molecule is an organic cation consisting of 1,8-dimethyl-3-(4-methylanilino)phenazine carrying additional 4-methylphenyl 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 a member of phenazines and an organic cation.

SMILES: Cc1ccc(Nc2cc(C)c3nc4cc(C)c(N)cc4[n+](-c4ccc(C)cc4)c3c2)cc1

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

InChI: InChI=1S/C28H26N4/c1-17-5-9-21(10-6-17)30-22-13-20(4)28-27(15-22)32(23-11-7-18(2)8-12-23)26-16-24(29)19(3)14-25(26)31-28/h5-16H,1-4H3,(H2,29,30)/p+1

Molecular Properties:
- Polar Surface Area: 54.8 Ų
- LogP: 6.7