4,7-diphenyl-1,10-phenanthroline; iridium(3+); 5-methyl-6-phenyl-3H-pyridin-3-ide; chloride

Systemtic Name: 4,7-diphenyl-1,10-phenanthroline; iridium(3+); 5-methyl-6-phenyl-3H-pyridin-3-ide; chloride Openeye Name: 4,7-diphenyl-1,10-phenanthroline; iridium(3+); 5-methyl-6-phenyl-3H-pyridin-3-ide; chloride CAS Name: 4,7-diphenyl-1,10-phenanthroline; iridium(3+); 5-methyl-6-phenyl-3H-pyridin-3-ide; chloride IUPAC Name: 4,7-diphenyl-1,10-phenanthroline; iridium(3+); 5-methyl-6-phenyl-3H-pyridin-3-ide; chloride Traditional Name: 4,7-diphenyl-1,10-phenanthroline; iridium(3+); 5-methyl-6-phenyl-3H-pyridin-3-ide; chloride Formula: C48H36ClIrN4 MolecularWeight: 896.49624

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N=C[C-]=C1)C2=CC=CC=C2.CC1=C(N=C[C-]=C1)C2=CC=CC=C2.C1=CC=C(C=C1)C2=C3C=CC4=C(C=CN=C4C3=NC=C2)C5=CC=CC=C5.[Cl-].[Ir+3]

Isomeric SMILES

CC1=C(N=C[C-]=C1)C2=CC=CC=C2.CC1=C(N=C[C-]=C1)C2=CC=CC=C2.C1=CC=C(C=C1)C2=C3C=CC4=C(C=CN=C4C3=NC=C2)C5=CC=CC=C5.[Cl-].[Ir+3]

InChI

InChI=1S/C24H16N2.2C12H10N.ClH.Ir/c1-3-7-17(8-4-1)19-13-15-25-23-21(19)11-12-22-20(14-16-26-24(22)23)18-9-5-2-6-10-18;2*1-10-6-5-9-13-12(10)11-7-3-2-4-8-11;;/h1-16H;2*2-4,6-9H,1H3;1H;/q;2*-1;;+3/p-1