2-[2,4-bis(fluoranyl)phenyl]pyridine; iridium; pyridine-2-carboxylate

Systemtic Name: 2-[2,4-bis(fluoranyl)phenyl]pyridine; iridium; pyridine-2-carboxylate Openeye Name: 2-(2,4-difluorophenyl)pyridine; iridium; pyridine-2-carboxylate CAS Name: 2-(2,4-difluorophenyl)pyridine; iridium; 2-pyridinecarboxylate IUPAC Name: 2-(2,4-difluorophenyl)pyridine; iridium; pyridine-2-carboxylate Traditional Name: 2-(2,4-difluorophenyl)pyridine; iridium; picolinate Formula: C112H72F16IrN12O8-4 MolecularWeight: 2210.037131

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=NC(=C1)C2=C(C=C(C=C2)F)F.C1=CC=NC(=C1)C2=C(C=C(C=C2)F)F.C1=CC=NC(=C1)C2=C(C=C(C=C2)F)F.C1=CC=NC(=C1)C2=C(C=C(C=C2)F)F.C1=CC=NC(=C1)C2=C(C=C(C=C2)F)F.C1=CC=NC(=C1)C2=C(C=C(C=C2)F)F.C1=CC=NC(=C1)C2=C(C=C(C=C2)F)F.C1=CC=NC(=C1)C2=C(C=C(C=C2)F)F.C1=CC=NC(=C1)C(=O)[O-].C1=CC=NC(=C1)C(=O)[O-].C1=CC=NC(=C1)C(=O)[O-].C1=CC=NC(=C1)C(=O)[O-].[Ir]

Isomeric SMILES

C1=CC=NC(=C1)C2=C(C=C(C=C2)F)F.C1=CC=NC(=C1)C2=C(C=C(C=C2)F)F.C1=CC=NC(=C1)C2=C(C=C(C=C2)F)F.C1=CC=NC(=C1)C2=C(C=C(C=C2)F)F.C1=CC=NC(=C1)C2=C(C=C(C=C2)F)F.C1=CC=NC(=C1)C2=C(C=C(C=C2)F)F.C1=CC=NC(=C1)C2=C(C=C(C=C2)F)F.C1=CC=NC(=C1)C2=C(C=C(C=C2)F)F.C1=CC=NC(=C1)C(=O)[O-].C1=CC=NC(=C1)C(=O)[O-].C1=CC=NC(=C1)C(=O)[O-].C1=CC=NC(=C1)C(=O)[O-].[Ir]

InChI

InChI=1S/8C11H7F2N.4C6H5NO2.Ir/c8*12-8-4-5-9(10(13)7-8)11-3-1-2-6-14-11;4*8-6(9)5-3-1-2-4-7-5;/h8*1-7H;4*1-4H,(H,8,9);/p-4