![((4S,5S)-(-)-O-[1-Benzyl-1-(5-methyl-2-phenyl-4,5-dihydrooxazol-4-yl)-2-phenylethyl]-diphenylphosphinite)(1,5-COD)iridium(I) tetrakis(3,5-bis(trifluoromethyl)phenylborate, min. 97% (S,S)-[COD]Ir[Ph2PThrePHOX]](https://resource.alfa-chemistry.com/structure/405235-55-4.gif)
Synonyms
1,5-CYCLOOCTADIENE[[DIBENZYL((4S,5S)-5-METHYL-2-PHENYL-4,5-DIHYDRO-4-OXAZOLYL)METHYL]DIPHENYLPHOSPHINITE KN:KP]IRIDIUM(I)TETRAKIS(3,5-BIS(TRIFLUOROMETHYL)PHENYL)BORATE; (S,S)-[COD]Ir[Ph2PThrePHOX], 97%; 405235-55-4; (S,S)-[COD]IR[PH2PTHREPHOX]; MFCD06658140; SC10649; 1,5-CYCLOOCTADIENE[[DIBENZYL((4S,5S)-5-METHYL-2-PHENYL-4,5-DIHYDRO-4-OXAZOLYL)METHYL]DIPHENYLPHOSPHINITE KAPPAN:KAPPAP]IRIDIUM(I) TETRAKIS(3,5-BIS(TRIFLUOROMETHYL)PHENYL)BORATE; 1,5-Cyclooctadiene{[dibenzyl((4S,5S)-5-methyl-2-phenyl-4,5-dihydro-4-oxazolyl)methyl]diphenylphosphinite kappaN:kappaP}iridium(I) tetrakis(3,5-bis(trifluoromethyl)phenyl)borate, 97%;
IUPAC Name
cyclooctane;iridium;[2-[(4S,5S)-5-methyl-2-phenyl-4,5-dihydro-1,3-oxazol-4-yl]-1,3-diphenylpropan-2-yl]oxy-diphenylphosphane;tetrakis[3,5-bis(trifluoromethyl)phenyl]boranuide;
Molecular Weight
1719.278g/mol
Molecular Formula
C77H58BF24IrNO2P-;
InChI
InChI=1S/C37H34NO2P.C32H12BF24.C8H12.Ir/c1-29-35(38-36(39-29)32-21-11-4-12-22-32)37(27-30-17-7-2-8-18-30,28-31-19-9-3-10-20-31)40-41(33-23-13-5-14-24-33)34-25-15-6-16-26-34;34-25(35,36)13-1-14(26(37,38)39)6-21(5-13)33(22-7-15(27(40,41)42)2-16(8-22)28(43,44)45,23-9-17(29(46,47)48)3-18(10-23)30(49,50)51)24-11-19(31(52,53)54)4-20(12-24)32(55,56)57;1-2-4-6-8-7-5-3-1;/h2-26,29,35H,27-28H2,1H3;1-12H;1-2,7-8H,3-6H2;/q;-1;;/t29-,35-;;;/m0.../s1;
InChI Key
OYQSQQMXRUOJGB-FWAHSXEBSA-N;
Storage
2-8°C
Complexity
1850
Covalently-Bonded Unit Count
4
Defined Atom Stereocenter Count
2
Exact Mass
1719.354g/mol
Formal Charge
-1
H-Bond Acceptor
28
Heavy Atom Count
107
Monoisotopic Mass
1719.354g/mol
Rotatable Bond Count
14
Topological Polar Surface Area
30.8A^2
