(2Z)-2-[(3,5-diphenylpyrrol-1-id-2-yl)methylidene]-3,5-diphenyl-pyrrole; iridium; 2-phenylpyridine

Systemtic Name: (2Z)-2-[(3,5-diphenylpyrrol-1-id-2-yl)methylidene]-3,5-diphenyl-pyrrole; iridium; 2-phenylpyridine Openeye Name: (2Z)-2-[(3,5-diphenylpyrrol-1-id-2-yl)methylene]-3,5-diphenyl-pyrrole; iridium; 2-phenylpyridine CAS Name: (2Z)-2-[(3,5-diphenyl-2-pyrrol-1-idyl)methylidene]-3,5-diphenylpyrrole; iridium; 2-phenylpyridine IUPAC Name: (2Z)-2-[(3,5-diphenylpyrrol-1-id-2-yl)methylidene]-3,5-diphenylpyrrole; iridium; 2-phenylpyridine Traditional Name: (2Z)-2-[(3,5-diphenylpyrrol-1-id-2-yl)methylene]-3,5-diphenyl-pyrrole; iridium; 2-phenylpyridine Formula: C44H31IrN3-2 MolecularWeight: 793.95404

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=CC(=NC2=CC3=C(C=C([N-]3)C4=CC=CC=C4)C5=CC=CC=C5)C6=CC=CC=C6.C1=CC=C([C-]=C1)C2=CC=CC=N2.[Ir]

Isomeric SMILES

C1=CC=C(C=C1)C\2=CC(=N/C2=C\C3=C(C=C([N-]3)C4=CC=CC=C4)C5=CC=CC=C5)C6=CC=CC=C6.C1=CC=C([C-]=C1)C2=CC=CC=N2.[Ir]

InChI

InChI=1S/C33H23N2.C11H8N.Ir/c1-5-13-24(14-6-1)28-21-30(26-17-9-3-10-18-26)34-32(28)23-33-29(25-15-7-2-8-16-25)22-31(35-33)27-19-11-4-12-20-27;1-2-6-10(7-3-1)11-8-4-5-9-12-11;/h1-23H;1-6,8-9H;/q2*-1;/b32-23-;;