Palladium(II)[1,3-bis(diphenylphosphino)propane]-bis(benzonitrile)-bis-tetrafluoroborate

Catalog Number	ACM175079126-2
CAS	175079-12-6
Structure
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
Heavy Atom Count	56
Hydrogen Bond Acceptor Count	12
Hydrogen Bond Donor Count	0
Monoisotopic Mass	898.14469
Rotatable Bond Count	8
Topological Polar Surface Area	47.6 Ų