Synonyms
5-[Di(1-adamantyl)phosphino]-1',3',5'-triphenyl-1'H-[1,4']bipyrazole; 1239478-87-5; 5-[Di(1-adamantyl)phosphino](1,3,5-triphenyl-1H-pyrazol-4-yl)-1H-pyrazole; 5-(di(adamantan-1-yl)phosphino)-1',3',5'-triphenyl-1'H-1,4'-bipyrazole; 5-[Di(1-adamantyl)phosphino]-1',3',5'-triphenyl-1,4'-bi[1H-pyrazole]; ZINC97944277;
IUPAC Name
bis(1-adamantyl)-[2-(1,3,5-triphenylpyrazol-4-yl)pyrazol-3-yl]phosphane;
Molecular Weight
662.862g/mol
Molecular Formula
C44H47N4P;
Canonical SMILES
C1C2CC3CC1CC(C2)(C3)P(C4=CC=NN4C5=C(N(N=C5C6=CC=CC=C6)C7=CC=CC=C7)C8=CC=CC=C8)C91CC2CC(C9)CC(C2)C1;
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;
Storage
2-8°C
Complexity
1060
Covalently-Bonded Unit Count
1
Exact Mass
662.354g/mol
H-Bond Acceptor
2
Heavy Atom Count
49
Monoisotopic Mass
662.354g/mol
Rotatable Bond Count
7
Topological Polar Surface Area
35.6A^2
