2-(1-benzothiophen-2-yl)-5-(trifluoromethyl)pyridine; iridium(3+)

Systemtic Name: 2-(1-benzothiophen-2-yl)-5-(trifluoromethyl)pyridine; iridium(3+) Openeye Name: 2-(benzothiophen-2-yl)-5-(trifluoromethyl)pyridine; iridium(3+) CAS Name: 2-(1-benzothiophen-2-yl)-5-(trifluoromethyl)pyridine; iridium(3+) IUPAC Name: 2-(1-benzothiophen-2-yl)-5-(trifluoromethyl)pyridine; iridium(3+) Traditional Name: 2-(benzothiophen-2-yl)-5-(trifluoromethyl)pyridine; iridium(3+) Formula: C42H24F9IrN3S3+3 MolecularWeight: 1030.057689

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=C(S2)C3=NC=C(C=C3)C(F)(F)F.C1=CC=C2C(=C1)C=C(S2)C3=NC=C(C=C3)C(F)(F)F.C1=CC=C2C(=C1)C=C(S2)C3=NC=C(C=C3)C(F)(F)F.[Ir+3]

Isomeric SMILES

C1=CC=C2C(=C1)C=C(S2)C3=NC=C(C=C3)C(F)(F)F.C1=CC=C2C(=C1)C=C(S2)C3=NC=C(C=C3)C(F)(F)F.C1=CC=C2C(=C1)C=C(S2)C3=NC=C(C=C3)C(F)(F)F.[Ir+3]

InChI

InChI=1S/3C14H8F3NS.Ir/c3*15-14(16,17)10-5-6-11(18-8-10)13-7-9-3-1-2-4-12(9)19-13;/h3*1-8H;/q;;;+3