Molecule ID: 2762681

IUPAC Name: [6-(dimethylamino)-9-phenylxanthen-3-ylidene]-dimethylazanium

Description: The molecule is an iminium ion that is the 6-dimethylamino derivative of N,N-dimethyl-9-phenyl-3H-xanthen-3-iminium. Used in the form of its chloride salt as a red-orange fluorescent dye.

SMILES: CN(C)c1ccc2c(-c3ccccc3)c3ccc(N(C)C)cc3[o+]c2c1

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

InChI: InChI=1S/C23H23N2O/c1-24(2)17-10-12-19-21(14-17)26-22-15-18(25(3)4)11-13-20(22)23(19)16-8-6-5-7-9-16/h5-15H,1-4H3/q+1

Molecular Properties:
- Polar Surface Area: 15.5 Ų
- LogP: 3.5