5-(Dicyclohexylphosphino)-1',3',5'-triphenyl-[1,4']-bi-1H-pyrazole, min. 95% Cy-BippyPhos
Product Information
Molecular Formula
C36H39N4P
Molecular Weight
558.70
Description
5-(Dicyclohexylphosphino)-1',3',5'-triphenyl-[1,4']-bi-1H-pyrazole, min. 95% Cy-BippyPhos finds extensive utility in the biomedical sector. This compound, acting as a ligand in coordination chemistry, is indispensable for synthesizing a diverse array of organometallic complexes. With its distinctive and intricate structure, it exhibits exceptional metal atom binding capabilities, thus facilitating the creation of catalysts imperative for pharmaceutical and agrochemical production.
Synonyms
Cy-BippyPhos
IUPAC Name
dicyclohexyl-[2-(1,3,5-triphenylpyrazol-4-yl)pyrazol-3-yl]phosphane
SMILES
C1CCC(CC1)P(C2CCCCC2)C3=CC=NN3C4=C(N(N=C4C5=CC=CC=C5)C6=CC=CC=C6)C7=CC=CC=C7
InChI
InChI=1S/C36H39N4P/c1-6-16-28(17-7-1)34-36(35(29-18-8-2-9-19-29)39(38-34)30-20-10-3-11-21-30)40-33(26-27-37-40)41(31-22-12-4-13-23-31)32-24-14-5-15-25-32/h1-3,6-11,16-21,26-27,31-32H,4-5,12-15,22-25H2
InChI Key
ZMENEJKATASVIH-UHFFFAOYSA-N
Melting Point
177-180 °C (lit.)
Flash Point
Not applicable
Purity
97%
Storage
2-8°C
Computed Properties
XLogP3
8.7
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
2
Rotatable Bond Count
7
Exact Mass
558.29123426 g/mol
Monoisotopic Mass
558.29123426 g/mol
Topological Polar Surface Area
35.6Ų
Heavy Atom Count
41
Formal Charge
0
Complexity
761
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
1
Compound Is Canonicalized
Yes
