4,7-diphenyl-1,10-phenanthroline; iridium(3+); 1-phenylisoquinoline; chloride

Systemtic Name: 4,7-diphenyl-1,10-phenanthroline; iridium(3+); 1-phenylisoquinoline; chloride Openeye Name: 4,7-diphenyl-1,10-phenanthroline; iridium(3+); 1-phenylisoquinoline; chloride CAS Name: 4,7-diphenyl-1,10-phenanthroline; iridium(3+); 1-phenylisoquinoline; chloride IUPAC Name: 4,7-diphenyl-1,10-phenanthroline; iridium(3+); 1-phenylisoquinoline; chloride Traditional Name: 4,7-diphenyl-1,10-phenanthroline; iridium(3+); 1-phenylisoquinoline; chloride Formula: C54H36ClIrN4 MolecularWeight: 968.56044

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=C3C=CC4=C(C=CN=C4C3=NC=C2)C5=CC=CC=C5.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=C3C=CC4=C(C=CN=C4C3=NC=C2)C5=CC=CC=C5.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/C24H16N2.2C15H10N.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*1-2-7-13(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