benzene; 2,4-diphenyl-6-pyridin-2-yl-pyridine; palladium; triphenylphosphanium; tetrafluoroborate

Systemtic Name: benzene; 2,4-diphenyl-6-pyridin-2-yl-pyridine; palladium; triphenylphosphanium; tetrafluoroborate Openeye Name: benzene; 2,4-diphenyl-6-(2-pyridyl)pyridine; palladium; triphenylphosphonium; tetrafluoroborate CAS Name: benzene; 2,4-diphenyl-6-(2-pyridinyl)pyridine; palladium; triphenylphosphonium; tetrafluoroborate IUPAC Name: benzene; 2,4-diphenyl-6-pyridin-2-ylpyridine; palladium; triphenylphosphanium; tetrafluoroborate Traditional Name: benzene; 2,4-diphenyl-6-(2-pyridyl)pyridine; palladium; triphenylphosphonium; tetrafluoroborate Formula: C64H53BF4N2P2Pd MolecularWeight: 1105.291155

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Descriptors Computed from Structure

Canonical SMILES:

[B-](F)(F)(F)F.C1=CC=[C-]C=C1.C1=CC=C(C=C1)C2=CC(=NC(=C2)C3=CC=CC=N3)C4=CC=CC=C4.C1=CC=C(C=C1)[PH+](C2=CC=CC=C2)C3=CC=CC=C3.C1=CC=C(C=C1)[PH+](C2=CC=CC=C2)C3=CC=CC=C3.[Pd]

Isomeric SMILES

[B-](F)(F)(F)F.C1=CC=[C-]C=C1.C1=CC=C(C=C1)C2=CC(=NC(=C2)C3=CC=CC=N3)C4=CC=CC=C4.C1=CC=C(C=C1)[PH+](C2=CC=CC=C2)C3=CC=CC=C3.C1=CC=C(C=C1)[PH+](C2=CC=CC=C2)C3=CC=CC=C3.[Pd]

InChI

InChI=1S/C22H16N2.2C18H15P.C6H5.BF4.Pd/c1-3-9-17(10-4-1)19-15-21(18-11-5-2-6-12-18)24-22(16-19)20-13-7-8-14-23-20;2*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-2-4-6-5-3-1;2-1(3,4)5;/h1-16H;2*1-15H;1-5H;;/q;;;2*-1;/p+2