Molecule ID: 25195446

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

Description: The molecule is an organic perchlorate salt. It has a role as a fluorochrome. It contains a malachite green isothiocyanate cation.

SMILES: CN(C)c1ccc(C(=C2C=CC(=[N+]=C=S)C=C2)c2ccc(N(C)C)cc2)cc1.[O-][Cl+3]([O-])([O-])[O-]

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].[O-1][Cl+3][Branch1][C][O-1][Branch1][C][O-1][O-1]

InChI: InChI=1S/C24H24N3S.ClHO4/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;2-1(3,4)5/h5-16H,1-4H3;(H,2,3,4,5)/q+1;/p-1

Molecular Properties:
- Polar Surface Area: 125.0 Ų
- LogP: nan