methylbenzene; nickel(2+); triphenylphosphane; tris(3-phenylpyrazol-1-yl)boron(1-)

Systemtic Name: methylbenzene; nickel(2+); triphenylphosphane; tris(3-phenylpyrazol-1-yl)boron(1-) Openeye Name: nickelous; methylbenzene; triphenylphosphane; tris(3-phenylpyrazol-1-yl)boron(1-) CAS Name: methylbenzene; nickel(2+); triphenylphosphine; tris(3-phenyl-1-pyrazolyl)boron(1-) IUPAC Name: methylbenzene; nickel(2+); triphenylphosphane; tris(3-phenylpyrazol-1-yl)boron(1-) Traditional Name: nickelous; methylbenzene; triphenylphosphine; tris(3-phenylpyrazol-1-yl)boron(1-) Formula: C52H43BN6NiP MolecularWeight: 852.416181

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Descriptors Computed from Structure

Canonical SMILES:

[B-](N1C=CC(=N1)C2=CC=CC=C2)(N3C=CC(=N3)C4=CC=CC=C4)N5C=CC(=N5)C6=CC=CC=C6.CC1=CC=CC=[C-]1.C1=CC=C(C=C1)P(C2=CC=CC=C2)C3=CC=CC=C3.[Ni+2]

Isomeric SMILES

[B-](N1C=CC(=N1)C2=CC=CC=C2)(N3C=CC(=N3)C4=CC=CC=C4)N5C=CC(=N5)C6=CC=CC=C6.CC1=CC=CC=[C-]1.C1=CC=C(C=C1)P(C2=CC=CC=C2)C3=CC=CC=C3.[Ni+2]

InChI

InChI=1S/C27H21BN6.C18H15P.C7H7.Ni/c1-4-10-22(11-5-1)25-16-19-32(29-25)28(33-20-17-26(30-33)23-12-6-2-7-13-23)34-21-18-27(31-34)24-14-8-3-9-15-24;1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-7-5-3-2-4-6-7;/h1-21H;1-15H;2-5H,1H3;/q-1;;-1;+2