iridium(3+); 4-(3-methyl-2H-imidazol-2-id-1-yl)benzenecarbonitrile

Systemtic Name: iridium(3+); 4-(3-methyl-2H-imidazol-2-id-1-yl)benzenecarbonitrile Openeye Name: iridium(3+); 4-(3-methyl-2H-imidazol-2-id-1-yl)benzonitrile CAS Name: iridium(3+); 4-(3-methyl-2H-imidazol-2-id-1-yl)benzonitrile IUPAC Name: iridium(3+); 4-(3-methyl-2H-imidazol-2-id-1-yl)benzonitrile Traditional Name: iridium(3+); 4-(3-methyl-4-imidazolin-2-id-1-yl)benzonitrile Formula: C33H30IrN9 MolecularWeight: 744.8686

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Descriptors Computed from Structure

Canonical SMILES:

CN1[CH-]N(C=C1)C2=CC=C(C=C2)C#N.CN1[CH-]N(C=C1)C2=CC=C(C=C2)C#N.CN1[CH-]N(C=C1)C2=CC=C(C=C2)C#N.[Ir+3]

Isomeric SMILES

CN1[CH-]N(C=C1)C2=CC=C(C=C2)C#N.CN1[CH-]N(C=C1)C2=CC=C(C=C2)C#N.CN1[CH-]N(C=C1)C2=CC=C(C=C2)C#N.[Ir+3]

InChI

InChI=1S/3C11H10N3.Ir/c3*1-13-6-7-14(9-13)11-4-2-10(8-12)3-5-11;/h3*2-7,9H,1H3;/q3*-1;+3