2,9-dimethyl-4,7-diphenyl-1,10-phenanthroline; iridium(3+); 2-phenylpyridine; chloride

Systemtic Name: 2,9-dimethyl-4,7-diphenyl-1,10-phenanthroline; iridium(3+); 2-phenylpyridine; chloride Openeye Name: 2,9-dimethyl-4,7-diphenyl-1,10-phenanthroline; iridium(3+); 2-phenylpyridine; chloride CAS Name: 2,9-dimethyl-4,7-diphenyl-1,10-phenanthroline; iridium(3+); 2-phenylpyridine; chloride IUPAC Name: 2,9-dimethyl-4,7-diphenyl-1,10-phenanthroline; iridium(3+); 2-phenylpyridine; chloride Traditional Name: 2,9-dimethyl-4,7-diphenyl-1,10-phenanthroline; iridium(3+); 2-phenylpyridine; chloride Formula: C48H36ClIrN4 MolecularWeight: 896.49624

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(C=CC3=C2N=C(C=C3C4=CC=CC=C4)C)C(=C1)C5=CC=CC=C5.C1=CC=C([C-]=C1)C2=CC=CC=N2.C1=CC=C([C-]=C1)C2=CC=CC=N2.[Cl-].[Ir+3]

Isomeric SMILES

CC1=NC2=C(C=CC3=C2N=C(C=C3C4=CC=CC=C4)C)C(=C1)C5=CC=CC=C5.C1=CC=C([C-]=C1)C2=CC=CC=N2.C1=CC=C([C-]=C1)C2=CC=CC=N2.[Cl-].[Ir+3]

InChI

InChI=1S/C26H20N2.2C11H8N.ClH.Ir/c1-17-15-23(19-9-5-3-6-10-19)21-13-14-22-24(20-11-7-4-8-12-20)16-18(2)28-26(22)25(21)27-17;2*1-2-6-10(7-3-1)11-8-4-5-9-12-11;;/h3-16H,1-2H3;2*1-6,8-9H;1H;/q;2*-1;;+3/p-1