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861259-58-7 | Phosphine, tris(2,2'',4,4'',6,6''-hexamethyl[1,1':3',1''-terphenyl]-5'-yl)-
CAS No: 861259-58-7 Catalog No: AG004L2G MDL No:
Product Description
Catalog Number:
AG004L2G
Chemical Name:
Phosphine, tris(2,2'',4,4'',6,6''-hexamethyl[1,1':3',1''-terphenyl]-5'-yl)-
CAS Number:
861259-58-7
Molecular Formula:
C72H75P
Molecular Weight:
971.3397
IUPAC Name:
tris[3,5-bis(2,4,6-trimethylphenyl)phenyl]phosphane
InChI:
InChI=1S/C72H75P/c1-40-19-46(7)67(47(8)20-40)58-31-59(68-48(9)21-41(2)22-49(68)10)35-64(34-58)73(65-36-60(69-50(11)23-42(3)24-51(69)12)32-61(37-65)70-52(13)25-43(4)26-53(70)14)66-38-62(71-54(15)27-44(5)28-55(71)16)33-63(39-66)72-56(17)29-45(6)30-57(72)18/h19-39H,1-18H3
InChI Key:
DPBHGRKDENXNIA-UHFFFAOYSA-N
SMILES:
Cc1cc(C)cc(c1c1cc(cc(c1)c1c(C)cc(cc1C)C)P(c1cc(cc(c1)c1c(C)cc(cc1C)C)c1c(C)cc(cc1C)C)c1cc(cc(c1)c1c(C)cc(cc1C)C)c1c(C)cc(cc1C)C)C
Properties
Complexity:
1330
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
970.561g/mol
Formal Charge:
0
Heavy Atom Count:
73
Hydrogen Bond Acceptor Count:
0
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
971.366g/mol
Monoisotopic Mass:
970.561g/mol
Rotatable Bond Count:
9
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
20.9
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