| CAS Number | 1298133-26-2 |
| Catalog Number | AG01FQZE(AGN-PC-3H5PB4) |
| Chemical Name | N-[(1R)-7′-[Bis[3,5-bis(1,1-dimethylethyl)phenyl]phosphino]-2,2′,3,3′-tetrahydro-1,1′-spirobi[1H-inden]-7-yl]-6-methyl-2-pyridinemethanamine |
| IUPAC Name | (3R)-1'-[(E)-1-bis(3,5-ditert-butylphenyl)phosphanylprop-1-enyl]-N-[(6-methylpyridin-2-yl)methyl]spiro[1,2-dihydroindene-3,5'-cyclopentene]-4-amine |
| InChI | InChI=1S/C51H67N2P/c1-15-45(43-22-18-25-51(43)26-24-35-20-17-23-44(46(35)51)52-33-40-21-16-19-34(2)53-40)54(41-29-36(47(3,4)5)27-37(30-41)48(6,7)8)42-31-38(49(9,10)11)28-39(32-42)50(12,13)14/h15-17,19-23,27-32,52H,18,24-26,33H2,1-14H3/b45-15+/t51-/m0/s1 |
| InChI Key | KRTGUWSHWYQWGV-SAEDYZQGSA-N |
| Molecular Formula | C52H65N2P |
| Molecular Weight | 749.0597 |
| SMILES | Cc1cccc(n1)CNc2cccc3c2[C@@]4(CC3)CCc5c4c(ccc5)P(c6cc(cc(c6)C(C)(C)C)C(C)(C)C)c7cc(cc(c7)C(C)(C)C)C(C)(C)C |
| Synonyms | |
| Complexity | 1220 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 1 |
| Exact Mass | 738.504187g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 54 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 739.1g/mol |
| Monoisotopic Mass | 738.504187g/mol |
| Rotatable Bond Count | 11 |
| Topological Polar Surface Area | 24.9Ų |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 14.5 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number