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2-(3H-1-benzothiophen-3-id-2-yl)pyridine; 4,7-diphenyl-1,10-phenanthroline; iridium(3+); chloride

2-(3H-1-benzothiophen-3-id-2-yl)pyridine; 4,7-diphenyl-1,10-phenanthroline; iridium(3+); chloride

Systemtic Name:2-(3H-1-benzothiophen-3-id-2-yl)pyridine; 4,7-diphenyl-1,10-phenanthroline; iridium(3+); chloride
Openeye Name:2-(3H-benzothiophen-3-id-2-yl)pyridine; 4,7-diphenyl-1,10-phenanthroline; iridium(3+); chloride
CAS Name:2-(3H-1-benzothiophen-3-id-2-yl)pyridine; 4,7-diphenyl-1,10-phenanthroline; iridium(3+); chloride
IUPAC Name:2-(3H-1-benzothiophen-3-id-2-yl)pyridine; 4,7-diphenyl-1,10-phenanthroline; iridium(3+); chloride
Traditional Name:2-(3H-benzothiophen-3-id-2-yl)pyridine; 4,7-diphenyl-1,10-phenanthroline; iridium(3+); chloride
Formula: C50H32ClIrN4S2
MolecularWeight: 980.61588
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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=C2C(=C1)[C-]=C(S2)C3=CC=CC=N3.C1=CC=C2C(=C1)[C-]=C(S2)C3=CC=CC=N3.[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=C2C(=C1)[C-]=C(S2)C3=CC=CC=N3.C1=CC=C2C(=C1)[C-]=C(S2)C3=CC=CC=N3.[Cl-].[Ir+3]


InChI

InChI=1S/C24H16N2.2C13H8NS.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*1-2-7-12-10(5-1)9-13(15-12)11-6-3-4-8-14-11;;/h1-16H;2*1-8H;1H;/q;2*-1;;+3/p-1


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