2,2-difluoro-4-[(1E,3E)-4-phenylbuta-1,3-dien-1-yl]-12-{2-[(prop-2-yn-1-yl)carbamoyl]ethyl}-1??,3-diaza-2-boratricyclo[7.3.0.0³,?]dodeca-1(12),4,6,8,10-pentaen-1-ylium-2-uide

CAS: 2006345-34-0

Formula: C25H22BF2N3O

SMILES: F[B-]1(F)N2C(C=CC=CC3=CC=CC=C3)=CC=C2C=C2C=CC(CCC(=O)NCC#C)=[N+]12

IUPAC: 2,2-difluoro-4-[(1E,3E)-4-phenylbuta-1,3-dien-1-yl]-12-{2-[(prop-2-yn-1-yl)carbamoyl]ethyl}-1??,3-diaza-2-boratricyclo[7.3.0.0³,?]dodeca-1(12),4,6,8,10-pentaen-1-ylium-2-uide

InChI: InChI=1S/C25H22BF2N3O/c1-2-18-29-25(32)17-16-22-13-15-24-19-23-14-12-21(30(23)26(27,28)31(22)24)11-7-6-10-20-8-4-3-5-9-20/h1,3-15,19H,16-18H2,(H,29,32)/b10-6+,11-7+

Composition: C (69.95%), H (5.17%), B (2.52%), F (8.85%), N (9.79%), O (3.73%)

Molar Mass: 429.28

Atom Count: 54

Heavy Atom Count: 32