2-[4-chloranyl-3-(trifluoromethyl)phenyl]pyridine; iridium(3+)

Systemtic Name: 2-[4-chloranyl-3-(trifluoromethyl)phenyl]pyridine; iridium(3+) Openeye Name: 2-[4-chloro-3-(trifluoromethyl)phenyl]pyridine; iridium(3+) CAS Name: 2-[4-chloro-3-(trifluoromethyl)phenyl]pyridine; iridium(3+) IUPAC Name: 2-[4-chloro-3-(trifluoromethyl)phenyl]pyridine; iridium(3+) Traditional Name: 2-[4-chloro-3-(trifluoromethyl)phenyl]pyridine; iridium(3+) Formula: C36H21Cl3F9IrN3+3 MolecularWeight: 965.133669

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=NC(=C1)C2=CC(=C(C=C2)Cl)C(F)(F)F.C1=CC=NC(=C1)C2=CC(=C(C=C2)Cl)C(F)(F)F.C1=CC=NC(=C1)C2=CC(=C(C=C2)Cl)C(F)(F)F.[Ir+3]

Isomeric SMILES

C1=CC=NC(=C1)C2=CC(=C(C=C2)Cl)C(F)(F)F.C1=CC=NC(=C1)C2=CC(=C(C=C2)Cl)C(F)(F)F.C1=CC=NC(=C1)C2=CC(=C(C=C2)Cl)C(F)(F)F.[Ir+3]

InChI

InChI=1S/3C12H7ClF3N.Ir/c3*13-10-5-4-8(7-9(10)12(14,15)16)11-3-1-2-6-17-11;/h3*1-7H;/q;;;+3