benzenecarbonitrile; [1-(2-diphenylphosphanylnaphthalen-1-yl)naphthalen-2-yl]-diphenyl-phosphane; palladium(2+); ditetrafluoroborate

Systemtic Name: benzenecarbonitrile; [1-(2-diphenylphosphanylnaphthalen-1-yl)naphthalen-2-yl]-diphenyl-phosphane; palladium(2+); ditetrafluoroborate Openeye Name: benzonitrile; [1-(2-diphenylphosphanyl-1-naphthyl)-2-naphthyl]-diphenyl-phosphane; palladium(2+); ditetrafluoroborate CAS Name: benzonitrile; [1-(2-diphenylphosphino-1-naphthalenyl)-2-naphthalenyl]-diphenylphosphine; palladium(2+); ditetrafluoroborate IUPAC Name: benzonitrile; [1-(2-diphenylphosphanylnaphthalen-1-yl)naphthalen-2-yl]-diphenylphosphane; palladium(2+); ditetrafluoroborate Traditional Name: benzonitrile; [1-(2-diphenylphosphino-1-naphthyl)-2-naphthyl]-diphenyl-phosphine; palladium(2+); ditetrafluoroborate Formula: C58H42B2F8N2P2Pd MolecularWeight: 1108.944228

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Descriptors Computed from Structure

Canonical SMILES:

[B-](F)(F)(F)F.[B-](F)(F)(F)F.C1=CC=C(C=C1)C#N.C1=CC=C(C=C1)C#N.C1=CC=C(C=C1)P(C2=CC=CC=C2)C3=C(C4=CC=CC=C4C=C3)C5=C(C=CC6=CC=CC=C65)P(C7=CC=CC=C7)C8=CC=CC=C8.[Pd+2]

Isomeric SMILES

[B-](F)(F)(F)F.[B-](F)(F)(F)F.C1=CC=C(C=C1)C#N.C1=CC=C(C=C1)C#N.C1=CC=C(C=C1)P(C2=CC=CC=C2)C3=C(C4=CC=CC=C4C=C3)C5=C(C=CC6=CC=CC=C65)P(C7=CC=CC=C7)C8=CC=CC=C8.[Pd+2]

InChI

InChI=1S/C44H32P2.2C7H5N.2BF4.Pd/c1-5-19-35(20-6-1)45(36-21-7-2-8-22-36)41-31-29-33-17-13-15-27-39(33)43(41)44-40-28-16-14-18-34(40)30-32-42(44)46(37-23-9-3-10-24-37)38-25-11-4-12-26-38;2*8-6-7-4-2-1-3-5-7;2*2-1(3,4)5;/h1-32H;2*1-5H;;;/q;;;2*-1;+2