2-(3H-1-benzothiophen-3-id-2-yl)pyridine; iridium; 2-phenylpyridine

Systemtic Name: 2-(3H-1-benzothiophen-3-id-2-yl)pyridine; iridium; 2-phenylpyridine Openeye Name: 2-(3H-benzothiophen-3-id-2-yl)pyridine; iridium; 2-phenylpyridine CAS Name: 2-(3H-1-benzothiophen-3-id-2-yl)pyridine; iridium; 2-phenylpyridine IUPAC Name: 2-(3H-1-benzothiophen-3-id-2-yl)pyridine; iridium; 2-phenylpyridine Traditional Name: 2-(3H-benzothiophen-3-id-2-yl)pyridine; iridium; 2-phenylpyridine Formula: C37H24IrN3S2-3 MolecularWeight: 766.95356

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C([C-]=C1)C2=CC=CC=N2.C1=CC=C2C(=C1)[C-]=C(S2)C3=CC=CC=N3.C1=CC=C2C(=C1)[C-]=C(S2)C3=CC=CC=N3.[Ir]

Isomeric SMILES

C1=CC=C([C-]=C1)C2=CC=CC=N2.C1=CC=C2C(=C1)[C-]=C(S2)C3=CC=CC=N3.C1=CC=C2C(=C1)[C-]=C(S2)C3=CC=CC=N3.[Ir]

InChI

InChI=1S/2C13H8NS.C11H8N.Ir/c2*1-2-7-12-10(5-1)9-13(15-12)11-6-3-4-8-14-11;1-2-6-10(7-3-1)11-8-4-5-9-12-11;/h2*1-8H;1-6,8-9H;/q3*-1;