iridium; triphenylphosphane; tri(pyrazol-1-yl)boron(1-); tetrafluoroborate

Systemtic Name: iridium; triphenylphosphane; tri(pyrazol-1-yl)boron(1-); tetrafluoroborate Openeye Name: iridium; triphenylphosphane; tri(pyrazol-1-yl)boron(1-); tetrafluoroborate CAS Name: iridium; triphenylphosphine; tris(1-pyrazolyl)boron(1-); tetrafluoroborate IUPAC Name: iridium; triphenylphosphane; tri(pyrazol-1-yl)boron(1-); tetrafluoroborate Traditional Name: iridium; triphenylphosphine; tri(pyrazol-1-yl)boron(1-); tetrafluoroborate Formula: C45H39B2F4IrN6P2-2 MolecularWeight: 1015.611495

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Descriptors Computed from Structure

Canonical SMILES:

[B-](N1C=CC=N1)(N2C=CC=N2)N3C=CC=N3.[B-](F)(F)(F)F.C1=CC=C(C=C1)P(C2=CC=CC=C2)C3=CC=CC=C3.C1=CC=C(C=C1)P(C2=CC=CC=C2)C3=CC=CC=C3.[Ir]

Isomeric SMILES

[B-](N1C=CC=N1)(N2C=CC=N2)N3C=CC=N3.[B-](F)(F)(F)F.C1=CC=C(C=C1)P(C2=CC=CC=C2)C3=CC=CC=C3.C1=CC=C(C=C1)P(C2=CC=CC=C2)C3=CC=CC=C3.[Ir]

InChI

InChI=1S/2C18H15P.C9H9BN6.BF4.Ir/c2*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-4-11-14(7-1)10(15-8-2-5-12-15)16-9-3-6-13-16;2-1(3,4)5;/h2*1-15H;1-9H;;/q;;2*-1;