Molecule ID: 25164046

IUPAC Name: (2,5-dioxopyrrolidin-1-yl) 6-[[2-[4-[(E)-2-[2,2-difluoro-12-(1H-pyrrol-2-yl)-3-aza-1-azonia-2-boranuidatricyclo[7.3.0.03,7]dodeca-1(12),4,6,8,10-pentaen-4-yl]ethenyl]phenoxy]acetyl]amino]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: O=C(CCCCCN=C(O)COc1ccc(/C=C/c2ccc3n2[B-](F)(F)[N+]2=C(c4ccc[nH]4)C=CC2=C3)cc1)ON1C(=O)CCC1=O

SELFIES: [O][=C][Branch2][Branch1][N][C][C][C][C][C][N][=C][Branch1][C][O][C][O][C][=C][C][=C][Branch2][Ring2][Ring2][/C][=C][/C][=C][C][=C][N][Ring1][Branch1][B-1][Branch1][C][F][Branch1][C][F][N+1][=C][Branch1][Branch2][C][=C][C][=C][NH1][Ring1][Branch1][C][=C][C][Ring1][#Branch2][=C][Ring1][S][C][=C][Ring2][Ring1][O][O][N][C][=Branch1][C][=O][C][C][C][Ring1][=Branch1][=O]

InChI: InChI=1S/C33H32BF2N5O6/c35-34(36)39-24(11-12-25(39)21-26-13-16-29(40(26)34)28-5-4-20-37-28)10-7-23-8-14-27(15-9-23)46-22-30(42)38-19-3-1-2-6-33(45)47-41-31(43)17-18-32(41)44/h4-5,7-16,20-21,37H,1-3,6,17-19,22H2,(H,38,42)/b10-7+

Molecular Properties:
- Polar Surface Area: 126.0 Ų
- LogP: nan