Molecule ID: 25164047

IUPAC Name: (2,5-dioxopyrrolidin-1-yl) 6-[3-[2,2-difluoro-12-(4-methoxyphenyl)-4,6-dimethyl-1-aza-3-azonia-2-boranuidatricyclo[7.3.0.03,7]dodeca-3,5,7,9,11-pentaen-5-yl]propanoylamino]hexanoate

Description: The molecule is a BODIPY dye and a pyrrolidinone. It has a role as a fluorochrome. It derives from a 4,4-difluoro-4-bora-3a,4a-diaza-s-indacene.

SMILES: C[O+]=C1C=CC(=c2ccc3n2[B-](F)(F)n2c(C)c(CCC(O)=NCCCCCC(=O)ON4C(=O)CCC4=O)c(C)c2C=3)C=C1

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

InChI: InChI=1S/C31H35BF2N4O6/c1-20-25(13-15-28(39)35-18-6-4-5-7-31(42)44-38-29(40)16-17-30(38)41)21(2)36-27(20)19-23-10-14-26(37(23)32(36,33)34)22-8-11-24(43-3)12-9-22/h8-12,14,19H,4-7,13,15-18H2,1-3H3,(H,35,39)

Molecular Properties:
- Polar Surface Area: 110.0 Ų
- LogP: nan