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1239478-87-5 | 1,4'-Bi-1H-pyrazole, 5-[bis(tricyclo[3.3.1.13,7]dec-1-yl)phosphino]-1',3',5'-triphenyl-
CAS No: 1239478-87-5 Catalog No: AG000L92 MDL No:
Product Description
Catalog Number:
AG000L92
Chemical Name:
1,4'-Bi-1H-pyrazole, 5-[bis(tricyclo[3.3.1.13,7]dec-1-yl)phosphino]-1',3',5'-triphenyl-
CAS Number:
1239478-87-5
Molecular Formula:
C44H47N4P
Molecular Weight:
662.8445
IUPAC Name:
bis(1-adamantyl)-[2-(1,3,5-triphenylpyrazol-4-yl)pyrazol-3-yl]phosphane
InChI:
InChI=1S/C44H47N4P/c1-4-10-36(11-5-1)40-42(41(37-12-6-2-7-13-37)47(46-40)38-14-8-3-9-15-38)48-39(16-17-45-48)49(43-24-30-18-31(25-43)20-32(19-30)26-43)44-27-33-21-34(28-44)23-35(22-33)29-44/h1-17,30-35H,18-29H2
InChI Key:
IHFBOUNFWVRWAQ-UHFFFAOYSA-N
SMILES:
c1ccc(cc1)c1nn(c(c1n1nccc1P(C12CC3CC(C2)CC(C1)C3)C12CC3CC(C2)CC(C1)C3)c1ccccc1)c1ccccc1
Properties
Complexity:
1060
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
662.354g/mol
Formal Charge:
0
Heavy Atom Count:
49
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
662.862g/mol
Monoisotopic Mass:
662.354g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
35.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
10.4
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