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

Systemtic Name: 2-(3H-1-benzothiophen-3-id-2-yl)-5-(trifluoromethyl)pyridine; iridium; 2-phenylpyridine Openeye Name: 2-(3H-benzothiophen-3-id-2-yl)-5-(trifluoromethyl)pyridine; iridium; 2-phenylpyridine CAS Name: 2-(3H-1-benzothiophen-3-id-2-yl)-5-(trifluoromethyl)pyridine; iridium; 2-phenylpyridine IUPAC Name: 2-(3H-1-benzothiophen-3-id-2-yl)-5-(trifluoromethyl)pyridine; iridium; 2-phenylpyridine Traditional Name: 2-(3H-benzothiophen-3-id-2-yl)-5-(trifluoromethyl)pyridine; iridium; 2-phenylpyridine Formula: C25H15F3IrN2S-2 MolecularWeight: 624.67721

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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=NC=C(C=C3)C(F)(F)F.[Ir]

Isomeric SMILES

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

InChI

InChI=1S/C14H7F3NS.C11H8N.Ir/c15-14(16,17)10-5-6-11(18-8-10)13-7-9-3-1-2-4-12(9)19-13;1-2-6-10(7-3-1)11-8-4-5-9-12-11;/h1-6,8H;1-6,8-9H;/q2*-1;