Molecule ID: 25195447

IUPAC Name: [4-[[4-(dimethylamino)phenyl]-(4-isothiocyanatophenyl)methylidene]cyclohexa-2,5-dien-1-ylidene]-dimethylazanium

Description: The molecule is the iminium cation of malachite green isothiocyanate. It has a role as a fluorochrome. It is a tertiary amine and an iminium ion.

SMILES: CN(C)c1ccc(C(=C2C=CC(=[N+]=C=S)C=C2)c2ccc(N(C)C)cc2)cc1

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

InChI: InChI=1S/C24H24N3S/c1-26(2)22-13-7-19(8-14-22)24(18-5-11-21(12-6-18)25-17-28)20-9-15-23(16-10-20)27(3)4/h5-16H,1-4H3/q+1

Molecular Properties:
- Polar Surface Area: 50.7 Ų
- LogP: 6.2