benzene; iridium(3+); molecular nitrogen; tris(3,5-dimethylpyrazol-1-yl)boron(1-)

Systemtic Name: benzene; iridium(3+); molecular nitrogen; tris(3,5-dimethylpyrazol-1-yl)boron(1-) Openeye Name: benzene; iridium(3+); molecular nitrogen; tris(3,5-dimethylpyrazol-1-yl)boron(1-) CAS Name: benzene; iridium(3+); molecular nitrogen; tris(3,5-dimethyl-1-pyrazolyl)boron(1-) IUPAC Name: benzene; iridium(3+); molecular nitrogen; tris(3,5-dimethylpyrazol-1-yl)boron(1-) Traditional Name: benzene; iridium(3+); molecular nitrogen; tris(3,5-dimethylpyrazol-1-yl)boron(1-) Formula: C27H31BIrN8 MolecularWeight: 670.61664

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Descriptors Computed from Structure

Canonical SMILES:

[B-](N1C(=CC(=N1)C)C)(N2C(=CC(=N2)C)C)N3C(=CC(=N3)C)C.C1=CC=[C-]C=C1.C1=CC=[C-]C=C1.N#N.[Ir+3]

Isomeric SMILES

[B-](N1C(=CC(=N1)C)C)(N2C(=CC(=N2)C)C)N3C(=CC(=N3)C)C.C1=CC=[C-]C=C1.C1=CC=[C-]C=C1.N#N.[Ir+3]

InChI

InChI=1S/C15H21BN6.2C6H5.Ir.N2/c1-10-7-13(4)20(17-10)16(21-14(5)8-11(2)18-21)22-15(6)9-12(3)19-22;2*1-2-4-6-5-3-1;;1-2/h7-9H,1-6H3;2*1-5H;;/q3*-1;+3;