2-(3H-1-benzothiophen-3-id-2-yl)-5-phenyl-pyridine; iridium

Systemtic Name: 2-(3H-1-benzothiophen-3-id-2-yl)-5-phenyl-pyridine; iridium Openeye Name: 2-(3H-benzothiophen-3-id-2-yl)-5-phenyl-pyridine; iridium CAS Name: 2-(3H-1-benzothiophen-3-id-2-yl)-5-phenylpyridine; iridium IUPAC Name: 2-(3H-1-benzothiophen-3-id-2-yl)-5-phenylpyridine; iridium Traditional Name: 2-(3H-benzothiophen-3-id-2-yl)-5-phenyl-pyridine; iridium Formula: C57H36IrN3S3-3 MolecularWeight: 1051.32784

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=CN=C(C=C2)C3=[C-]C4=CC=CC=C4S3.C1=CC=C(C=C1)C2=CN=C(C=C2)C3=[C-]C4=CC=CC=C4S3.C1=CC=C(C=C1)C2=CN=C(C=C2)C3=[C-]C4=CC=CC=C4S3.[Ir]

Isomeric SMILES

C1=CC=C(C=C1)C2=CN=C(C=C2)C3=[C-]C4=CC=CC=C4S3.C1=CC=C(C=C1)C2=CN=C(C=C2)C3=[C-]C4=CC=CC=C4S3.C1=CC=C(C=C1)C2=CN=C(C=C2)C3=[C-]C4=CC=CC=C4S3.[Ir]

InChI

InChI=1S/3C19H12NS.Ir/c3*1-2-6-14(7-3-1)16-10-11-17(20-13-16)19-12-15-8-4-5-9-18(15)21-19;/h3*1-11,13H;/q3*-1;