Molecule ID: 4260165

IUPAC Name: 2-[4-(dimethylamino)phenyl]-4-(4-dimethylazaniumylidenecyclohexa-2,5-dien-1-ylidene)-3-oxocyclobuten-1-olate

Description: The molecule is a squaraine dye having two 4-dimethylaminophenyl substituents attached to the cyclobutane ring. It has a role as a squaraine dye and a fluorochrome. It is a dimethylaniline and a squaraine.

SMILES: CN(C)c1ccc(C2=C([O-])C(=C3C=CC(=[N+](C)C)C=C3)C2=O)cc1

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

InChI: InChI=1S/C20H20N2O2/c1-21(2)15-9-5-13(6-10-15)17-19(23)18(20(17)24)14-7-11-16(12-8-14)22(3)4/h5-12H,1-4H3

Molecular Properties:
- Polar Surface Area: 46.4 Ų
- LogP: 2.7