Molecule ID: 13007361

IUPAC Name: (2,5-dioxopyrrolidin-1-yl) 6-[3-(2,2-difluoro-10,12-dimethyl-1-aza-3-azonia-2-boranuidatricyclo[7.3.0.03,7]dodeca-3,5,7,9,11-pentaen-4-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: Cc1cc(C)n2c1C=C1C=CC(CCC(O)=NCCCCCC(=O)ON3C(=O)CCC3=O)=[N+]1[B-]2(F)F

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

InChI: InChI=1S/C24H29BF2N4O5/c1-16-14-17(2)29-20(16)15-19-8-7-18(30(19)25(29,26)27)9-10-21(32)28-13-5-3-4-6-24(35)36-31-22(33)11-12-23(31)34/h7-8,14-15H,3-6,9-13H2,1-2H3,(H,28,32)

Molecular Properties:
- Polar Surface Area: 101.0 Ų
- LogP: nan