Molecule ID: 65211

IUPAC Name: [9-(2-ethoxycarbonylphenyl)-6-(ethylamino)-2,7-dimethylxanthen-3-ylidene]-ethylazanium

Description: The molecule is a cationic fluorescent dye derived from 9-phenylxanthene. It has a role as a fluorochrome. It is a xanthene dye and an organic cation.

SMILES: CCN=c1cc2oc3cc([NH2+]CC)c(C)cc3c(-c3ccccc3C(=O)OCC)c-2cc1C

SELFIES: [C][C][N][=C][C][=C][O][C][=C][C][Branch1][Ring2][NH2+1][C][C][=C][Branch1][C][C][C][=C][Ring1][#Branch2][C][Branch1][S][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][O][C][C][=C][Ring2][Ring1][=Branch2][C][=C][Ring2][Ring1][=N][C]

InChI: InChI=1S/C28H30N2O3/c1-6-29-23-15-25-21(13-17(23)4)27(19-11-9-10-12-20(19)28(31)32-8-3)22-14-18(5)24(30-7-2)16-26(22)33-25/h9-16,29H,6-8H2,1-5H3/p+1

Molecular Properties:
- Polar Surface Area: 61.5 Ų
- LogP: 5.1