2-methanidylpropan-2-ylbenzene; palladium(2+); pyridine-4-carbonitrile; tri(pyrazol-1-yl)boron(1-); hexafluorophosphate

Systemtic Name: 2-methanidylpropan-2-ylbenzene; palladium(2+); pyridine-4-carbonitrile; tri(pyrazol-1-yl)boron(1-); hexafluorophosphate Openeye Name: (1-methanidyl-1-methyl-ethyl)benzene; palladium(2+); pyridine-4-carbonitrile; tri(pyrazol-1-yl)boron(1-); hexafluorophosphate CAS Name: 2-methanidylpropan-2-ylbenzene; palladium(2+); 4-pyridinecarbonitrile; tris(1-pyrazolyl)boron(1-); hexafluorophosphate IUPAC Name: 2-methanidylpropan-2-ylbenzene; palladium(2+); pyridine-4-carbonitrile; tri(pyrazol-1-yl)boron(1-); hexafluorophosphate Traditional Name: isonicotinonitrile; (1-methanidyl-1-methyl-ethyl)benzene; palladium(2+); tri(pyrazol-1-yl)boron(1-); hexafluorophosphate Formula: C25H25BF6N8PPd-2 MolecularWeight: 699.71478

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Descriptors Computed from Structure

Canonical SMILES:

[B-](N1C=CC=N1)(N2C=CC=N2)N3C=CC=N3.CC(C)([CH2-])C1=CC=CC=[C-]1.C1=CN=CC=C1C#N.F[P-](F)(F)(F)(F)F.[Pd+2]

Isomeric SMILES

[B-](N1C=CC=N1)(N2C=CC=N2)N3C=CC=N3.CC(C)([CH2-])C1=CC=CC=[C-]1.C1=CN=CC=C1C#N.F[P-](F)(F)(F)(F)F.[Pd+2]

InChI

InChI=1S/C10H12.C9H9BN6.C6H4N2.F6P.Pd/c1-10(2,3)9-7-5-4-6-8-9;1-4-11-14(7-1)10(15-8-2-5-12-15)16-9-3-6-13-16;7-5-6-1-3-8-4-2-6;1-7(2,3,4,5)6;/h4-7H,1H2,2-3H3;1-9H;1-4H;;/q-2;-1;;-1;+2