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1021176-69-1 | 1,4'-Bi-1H-pyrazole, 5-(dicyclohexylphosphino)-1',3',5'-triphenyl-
CAS No: 1021176-69-1 Catalog No: AG0006NF MDL No:
Product Description
Catalog Number:
AG0006NF
Chemical Name:
1,4'-Bi-1H-pyrazole, 5-(dicyclohexylphosphino)-1',3',5'-triphenyl-
CAS Number:
1021176-69-1
Molecular Formula:
C36H39N4P
Molecular Weight:
558.6954
IUPAC Name:
dicyclohexyl-[2-(1,3,5-triphenylpyrazol-4-yl)pyrazol-3-yl]phosphane
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
SMILES:
C1CCC(CC1)P(c1ccnn1c1c(nn(c1c1ccccc1)c1ccccc1)c1ccccc1)C1CCCCC1
Properties
Complexity:
761
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
558.291g/mol
Formal Charge:
0
Heavy Atom Count:
41
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
558.71g/mol
Monoisotopic Mass:
558.291g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
35.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
8.7
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