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

Systemtic Name: 2-(3H-1-benzothiophen-3-id-2-yl)pyridine; iridium(3+); 1,10-phenanthroline; chloride Openeye Name: 2-(3H-benzothiophen-3-id-2-yl)pyridine; iridium(3+); 1,10-phenanthroline; chloride CAS Name: 2-(3H-1-benzothiophen-3-id-2-yl)pyridine; iridium(3+); 1,10-phenanthroline; chloride IUPAC Name: 2-(3H-1-benzothiophen-3-id-2-yl)pyridine; iridium(3+); 1,10-phenanthroline; chloride Traditional Name: 2-(3H-benzothiophen-3-id-2-yl)pyridine; iridium(3+); 1,10-phenanthroline; chloride Formula: C38H24ClIrN4S2 MolecularWeight: 828.42396

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)[C-]=C(S2)C3=CC=CC=N3.C1=CC=C2C(=C1)[C-]=C(S2)C3=CC=CC=N3.C1=CC2=C(C3=C(C=CC=N3)C=C2)N=C1.[Cl-].[Ir+3]

Isomeric SMILES

C1=CC=C2C(=C1)[C-]=C(S2)C3=CC=CC=N3.C1=CC=C2C(=C1)[C-]=C(S2)C3=CC=CC=N3.C1=CC2=C(C3=C(C=CC=N3)C=C2)N=C1.[Cl-].[Ir+3]

InChI

InChI=1S/2C13H8NS.C12H8N2.ClH.Ir/c2*1-2-7-12-10(5-1)9-13(15-12)11-6-3-4-8-14-11;1-3-9-5-6-10-4-2-8-14-12(10)11(9)13-7-1;;/h2*1-8H;1-8H;1H;/q2*-1;;;+3/p-1