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75593-74-7 | Octahydro-1,3,5,7-tetraphenyl-1,5,3,7-diazadiphosphocine
CAS No: 75593-74-7 Catalog No: AG005ARR MDL No:
Product Description
Catalog Number:
AG005ARR
Chemical Name:
Octahydro-1,3,5,7-tetraphenyl-1,5,3,7-diazadiphosphocine
CAS Number:
75593-74-7
Molecular Formula:
C28H28N2P2
Molecular Weight:
454.4828
IUPAC Name:
1,3,5,7-tetraphenyl-1,5,3,7-diazadiphosphocane
InChI:
InChI=1S/C28H28N2P2/c1-5-13-25(14-6-1)29-21-31(27-17-9-3-10-18-27)23-30(26-15-7-2-8-16-26)24-32(22-29)28-19-11-4-12-20-28/h1-20H,21-24H2
InChI Key:
KKDTXGTXBIRTIO-UHFFFAOYSA-N
SMILES:
c1ccc(cc1)N1CP(CN(CP(C1)c1ccccc1)c1ccccc1)c1ccccc1
Properties
Complexity:
474
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
454.173g/mol
Formal Charge:
0
Heavy Atom Count:
32
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
454.494g/mol
Monoisotopic Mass:
454.173g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
6.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
6.6
Literature
| Title | Journal |
|---|---|
| Synthesis, characterization, and reactivity of Fe complexes containing cyclic diazadiphosphine ligands: the role of the pendant base in heterolytic cleavage of H2. | Journal of the American Chemical Society 20120411 |
| Hydrogen oxidation and production using nickel-based molecular catalysts with positioned proton relays. | Journal of the American Chemical Society 20060111 |
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