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1160861-59-5 | Phosphine, [3,6-dimethoxy-2',4',6'-tris(1-methylethyl)[1,1'-biphenyl]-2-yl]bis(tricyclo[3.3.1.13,7]dec-1-yl)-
CAS No: 1160861-59-5 Catalog No: AG000BKG MDL No:
Product Description
Catalog Number:
AG000BKG
Chemical Name:
Phosphine, [3,6-dimethoxy-2',4',6'-tris(1-methylethyl)[1,1'-biphenyl]-2-yl]bis(tricyclo[3.3.1.13,7]dec-1-yl)-
CAS Number:
1160861-59-5
Molecular Formula:
C43H61O2P
Molecular Weight:
640.9170
IUPAC Name:
bis(1-adamantyl)-[3,6-dimethoxy-2-[2,4,6-tri(propan-2-yl)phenyl]phenyl]phosphane
InChI:
InChI=1S/C43H61O2P/c1-25(2)34-17-35(26(3)4)39(36(18-34)27(5)6)40-37(44-7)9-10-38(45-8)41(40)46(42-19-28-11-29(20-42)13-30(12-28)21-42)43-22-31-14-32(23-43)16-33(15-31)24-43/h9-10,17-18,25-33H,11-16,19-24H2,1-8H3
InChI Key:
NMGHOZQCYNKWBG-UHFFFAOYSA-N
SMILES:
COc1ccc(c(c1c1c(cc(cc1C(C)C)C(C)C)C(C)C)P(C12CC3CC(C2)CC(C1)C3)C12CC3CC(C2)CC(C1)C3)OC
Properties
Complexity:
934
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
640.441g/mol
Formal Charge:
0
Heavy Atom Count:
46
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
640.933g/mol
Monoisotopic Mass:
640.441g/mol
Rotatable Bond Count:
9
Topological Polar Surface Area:
18.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
11.8
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