iridium(3+); 1-phenylisoquinoline; 4-phenyl-2-(4-phenylpyridin-2-yl)pyridine; chloride

Systemtic Name: iridium(3+); 1-phenylisoquinoline; 4-phenyl-2-(4-phenylpyridin-2-yl)pyridine; chloride Openeye Name: iridium(3+); 1-phenylisoquinoline; 4-phenyl-2-(4-phenyl-2-pyridyl)pyridine; chloride CAS Name: iridium(3+); 1-phenylisoquinoline; 4-phenyl-2-(4-phenyl-2-pyridinyl)pyridine; chloride IUPAC Name: iridium(3+); 1-phenylisoquinoline; 4-phenyl-2-(4-phenylpyridin-2-yl)pyridine; chloride Traditional Name: iridium(3+); 1-phenylisoquinoline; 4-phenyl-2-(4-phenyl-2-pyridyl)pyridine; chloride Formula: C52H36ClIrN4 MolecularWeight: 944.53904

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=CC(=NC=C2)C3=NC=CC(=C3)C4=CC=CC=C4.C1=CC=C([C-]=C1)C2=NC=CC3=CC=CC=C32.C1=CC=C([C-]=C1)C2=NC=CC3=CC=CC=C32.[Cl-].[Ir+3]

Isomeric SMILES

C1=CC=C(C=C1)C2=CC(=NC=C2)C3=NC=CC(=C3)C4=CC=CC=C4.C1=CC=C([C-]=C1)C2=NC=CC3=CC=CC=C32.C1=CC=C([C-]=C1)C2=NC=CC3=CC=CC=C32.[Cl-].[Ir+3]

InChI

InChI=1S/C22H16N2.2C15H10N.ClH.Ir/c1-3-7-17(8-4-1)19-11-13-23-21(15-19)22-16-20(12-14-24-22)18-9-5-2-6-10-18;2*1-2-7-13(8-3-1)15-14-9-5-4-6-12(14)10-11-16-15;;/h1-16H;2*1-7,9-11H;1H;/q;2*-1;;+3/p-1