iridium; 2H-thiophen-2-ide; tris(3,5-dimethylpyrazol-1-yl)boron(1-)

Systemtic Name: iridium; 2H-thiophen-2-ide; tris(3,5-dimethylpyrazol-1-yl)boron(1-) Openeye Name: iridium; 2H-thiophen-2-ide; tris(3,5-dimethylpyrazol-1-yl)boron(1-) CAS Name: iridium; 2H-thiophen-2-ide; tris(3,5-dimethyl-1-pyrazolyl)boron(1-) IUPAC Name: iridium; 2H-thiophen-2-ide; tris(3,5-dimethylpyrazol-1-yl)boron(1-) Traditional Name: iridium; 2H-thiophen-2-ide; tris(3,5-dimethylpyrazol-1-yl)boron(1-) Formula: C34H45B2Ir2N12S-3 MolecularWeight: 1059.9225

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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.[B-](N1C(=CC(=N1)C)C)(N2C(=CC(=N2)C)C)N3C(=CC(=N3)C)C.C1=CS[C-]=C1.[Ir].[Ir]

Isomeric SMILES

[B-](N1C(=CC(=N1)C)C)(N2C(=CC(=N2)C)C)N3C(=CC(=N3)C)C.[B-](N1C(=CC(=N1)C)C)(N2C(=CC(=N2)C)C)N3C(=CC(=N3)C)C.C1=CS[C-]=C1.[Ir].[Ir]

InChI

InChI=1S/2C15H21BN6.C4H3S.2Ir/c2*1-10-7-13(4)20(17-10)16(21-14(5)8-11(2)18-21)22-15(6)9-12(3)19-22;1-2-4-5-3-1;;/h2*7-9H,1-6H3;1-3H;;/q3*-1;;