![{[CurrentData.Name]}](https://resource.alfachemic.com/structure/175079-12-6.gif)
Synonyms
Benzonitrile;3-diphenylphosphanylpropyl(diphenyl)phosphane;palladium(2+);ditetrafluoroborate
IUPAC Name
benzonitrile;3-diphenylphosphanylpropyl(diphenyl)phosphane;palladium(2+);ditetrafluoroborate;
Molecular Weight
898.7
Molecular Formula
C41H36B2F8N2P2Pd
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(CCCP(C2=CC=CC=C2)C3=CC=CC=C3)C4=CC=CC=C4.[Pd+2]
InChI
InChI=1S/C27H26P2.2C7H5N.2BF4.Pd/c1-5-14-24(15-6-1)28(25-16-7-2-8-17-25)22-13-23-29(26-18-9-3-10-19-26)27-20-11-4-12-21-27;2*8-6-7-4-2-1-3-5-7;2*2-1(3,4)5;/h1-12,14-21H,13,22-23H2;2*1-5H;/q;2*-1;+2
InChI Key
VCESXCUPOICDRS-UHFFFAOYSA-N
Purity
98%
Complexity
472
Covalently-Bonded Unit Count
6
Exact Mass
898.14469
H-Bond Acceptor
12
Heavy Atom Count
56
Monoisotopic Mass
898.14469
Rotatable Bond Count
8
Topological Polar Surface Area
47.6 Ų
