[2-[(Z)-(3,5-dimethylpyrrol-2-ylidene)-[4-[2-[4-[3,3,4,4,5,5-hexakis(fluoranyl)-2-(2-methyl-1-benzothiophen-3-yl)cyclopenten-1-yl]-5-methyl-thiophen-2-yl]ethynyl]phenyl]methyl]-3,5-dimethyl-pyrrol-1-yl]-bis(fluoranyl)borane

Systemtic Name: [2-[(Z)-(3,5-dimethylpyrrol-2-ylidene)-[4-[2-[4-[3,3,4,4,5,5-hexakis(fluoranyl)-2-(2-methyl-1-benzothiophen-3-yl)cyclopenten-1-yl]-5-methyl-thiophen-2-yl]ethynyl]phenyl]methyl]-3,5-dimethyl-pyrrol-1-yl]-bis(fluoranyl)borane Openeye Name: [2-[(Z)-(3,5-dimethylpyrrol-2-ylidene)-[4-[2-[4-[3,3,4,4,5,5-hexafluoro-2-(2-methylbenzothiophen-3-yl)cyclopenten-1-yl]-5-methyl-2-thienyl]ethynyl]phenyl]methyl]-3,5-dimethyl-pyrrol-1-yl]-difluoro-borane CAS Name: [2-[(Z)-(3,5-dimethyl-2-pyrrolylidene)-[4-[2-[4-[3,3,4,4,5,5-hexafluoro-2-(2-methyl-1-benzothiophen-3-yl)-1-cyclopentenyl]-5-methyl-2-thiophenyl]ethynyl]phenyl]methyl]-3,5-dimethyl-1-pyrrolyl]-difluoroborane IUPAC Name: [2-[(Z)-(3,5-dimethylpyrrol-2-ylidene)-[4-[2-[4-[3,3,4,4,5,5-hexafluoro-2-(2-methyl-1-benzothiophen-3-yl)cyclopenten-1-yl]-5-methylthiophen-2-yl]ethynyl]phenyl]methyl]-3,5-dimethylpyrrol-1-yl]-difluoroborane Traditional Name: [2-[(Z)-(3,5-dimethylpyrrol-2-ylidene)-[4-[2-[4-[3,3,4,4,5,5-hexafluoro-2-(2-methylbenzothiophen-3-yl)cyclopenten-1-yl]-5-methyl-2-thienyl]ethynyl]phenyl]methyl]-3,5-dimethyl-pyrrol-1-yl]-difluoro-borane Formula: C40H29BF8N2S2 MolecularWeight: 764.599886

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Descriptors Computed from Structure

Canonical SMILES:

B(N1C(=CC(=C1C(=C2C(=CC(=N2)C)C)C3=CC=C(C=C3)C#CC4=CC(=C(S4)C)C5=C(C(C(C5(F)F)(F)F)(F)F)C6=C(SC7=CC=CC=C76)C)C)C)(F)F

Isomeric SMILES

B(N1C(=CC(=C1/C(=C\2/C(=CC(=N2)C)C)/C3=CC=C(C=C3)C#CC4=CC(=C(S4)C)C5=C(C(C(C5(F)F)(F)F)(F)F)C6=C(SC7=CC=CC=C76)C)C)C)(F)F

InChI

InChI=1S/C40H29BF8N2S2/c1-20-17-22(3)50-36(20)33(37-21(2)18-23(4)51(37)41(48)49)27-14-11-26(12-15-27)13-16-28-19-30(24(5)52-28)34-35(39(44,45)40(46,47)38(34,42)43)32-25(6)53-31-10-8-7-9-29(31)32/h7-12,14-15,17-19H,1-6H3/b36-33-