Molecule ID: 4541001

IUPAC Name: [6-amino-9-(2-methoxycarbonylphenyl)xanthen-3-ylidene]azanium

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

SMILES: COC(=O)c1ccccc1-c1c2ccc(=[NH2+])cc-2oc2cc(N)ccc12

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

InChI: InChI=1S/C21H16N2O3/c1-25-21(24)15-5-3-2-4-14(15)20-16-8-6-12(22)10-18(16)26-19-11-13(23)7-9-17(19)20/h2-11,22H,23H2,1H3/p+1

Molecular Properties:
- Polar Surface Area: 87.1 Ų
- LogP: 2.5