Molecule ID: 11106

IUPAC Name: 8-N,8-N,3-trimethylphenazine-2,8-diamine

Description: The molecule is a member of the class of phenazines carrying methyl, amino and dimethylamino substituents at positions 2, 3 and 7 respectively. The free base of neutral red, which acts as a pH indicator, changing from red to yellow between pH 6.8 and 8.0. It has a role as a dye, an acid-base indicator and a two-colour indicator. It is a member of phenazines, a tertiary amino compound, a primary amino compound and an aromatic amine. It is a conjugate base of a neutral red(1+).

SMILES: Cc1cc2nc3ccc(N(C)C)cc3nc2cc1N

SELFIES: [C][C][=C][C][=N][C][=C][C][=C][Branch1][=Branch1][N][Branch1][C][C][C][C][=C][Ring1][=Branch2][N][=C][Ring1][=N][C][=C][Ring1][P][N]

InChI: InChI=1S/C15H16N4/c1-9-6-13-15(8-11(9)16)18-14-7-10(19(2)3)4-5-12(14)17-13/h4-8H,16H2,1-3H3

Molecular Properties:
- Polar Surface Area: 55.0 Ų
- LogP: 2.4