CyJohnPhos Pd G4

Product Information

Molecular Formula:
C38H46NO3PPdS
Molecular Weight:
734.24
Description
CyJohnPhos Pd G4 is a powerful ligand for classic cross-coupling reactions combined with the Buchwald Fourth Generation Palladacycle. Bench stable, soluble in most organic solvents.
Synonyms
CyJohnPhos Pd G4; AT33867
IUPAC Name
dicyclohexyl-(2-phenylphenyl)phosphanemethanesulfonic acidN-methyl-2-phenylanilinepalladium
Canonical SMILES
CNC1=CC=CC=C1C2=CC=CC=[C-]2.CS(=O)(=O)O.C1CCC(CC1)P(C2CCCCC2)C3=CC=CC=C3C4=CC=CC=C4.[Pd]
InChI
InChI=1S/C24H31P.C13H12N.CH4O3S.Pd/c1-4-12-20(13-5-1)23-18-10-11-19-24(23)25(21-14-6-2-7-15-21)22-16-8-3-9-17-221-14-13-10-6-5-9-12(13)11-7-3-2-4-8-111-5(2,3)4/h1,4-5,10-13,18-19,21-22H,2-3,6-9,14-17H22-7,9-10,14H,1H31H3,(H,2,3,4)/q-1
InChI Key
NFNOOIZHUOHMAT-UHFFFAOYSA-N
Flash Point
Not applicable

Computed Properties

Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
5
Rotatable Bond Count
6
Exact Mass
734.20491 g/mol
Monoisotopic Mass
734.20491 g/mol
Topological Polar Surface Area
74.8Ų
Heavy Atom Count
45
Formal Charge
-1
Complexity
819
Isotope Atom Count
0
Defined Atom Stereocenter Count
0
Undefined Atom Stereocenter Count
0
Defined Bond Stereocenter Count
0
Undefined Bond Stereocenter Count
0
Covalently-Bonded Unit Count
4
Compound Is Canonicalized
Yes
The molarity calculator equation

Mass (g) = Concentration (mol/L) × Volume (L) × Molecular Weight (g/mol)

The dilution calculator equation

Concentration (start) × Volume (start) = Concentration (final) × Volume (final)

This equation is commonly abbreviated as: C1V1 = C2V2

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