944450-45-7
DICHLORO[(R)-5,5'-BIS[DI(3,5-XYLYL)PHOSPHINO]-4,4'-BI-1,3-BENZODIOXOLE][(1R,2R)-1,2-DIPHENYLETHYLENEDIAMINE]RUTHENIUM(II)
NameDICHLORO[(R)-5,5'-BIS[DI(3,5-XYLYL)PHOSPHINO]-4,4'-BI-1,3-BENZODIOXOLE][(1R,2R)-1,2-DIPHENYLETHYLENEDIAMINE]RUTHENIUM(II)
pro_formulaC46 H44 O4 P2 . C14 H16 N2 . Cl2 Ru
1Identification
【Name】
DICHLORO[(R)-5,5'-BIS[DI(3,5-XYLYL)PHOSPHINO]-4,4'-BI-1,3-BENZODIOXOLE][(1R,2R)-1,2-DIPHENYLETHYLENEDIAMINE]RUTHENIUM(II)
【CAS】
【MDL】
MFCD09753031
【EnglishSynonyms】
【pro_formula】
C46 H44 O4 P2 . C14 H16 N2 . Cl2 Ru
【pro_molWeight】
1107.07
【Inchi】
InChI=1S/C46H44O4P2.C14H16N2.2ClH.Ru/c1-27-13-28(2)18-35(17-27)51(36-19-29(3)14-30(4)20-36)41-11-9-39-45(49-25-47-39)43(41)44-42(12-10-40-46(44)50-26-48-40)52(37-21-31(5)15-32(6)22-37)38-23-33(7)16-34(8)24-38;15-13(11-7-3-1-4-8-11)14(16)12-9-5-2-6-10-12;;;/h9-24H,25-26H2,1-8H3;1-10,13-14H,15-16H2;2*1H;/q;;;;+2/p-2/t;13-,14-;;;/m.1.../s1
【InChIKey】
InChIKey=FOEKPXQPRAIJRW-ODQAEMFESA-L
【SMILES】
Cc1cc(cc(c1)P(c2ccc3c(c2c4c(ccc5c4OCO5)P(c6cc(cc(c6)C)C)c7cc(cc(c7)C)C)OCO3)c8cc(cc(c8)C)C)C.c1ccc(cc1)[C@H]([C@@H](c2ccccc2)N)N.Cl[Ru]Cl
【MOL File】
DICHLORO[(R)-5,5'-BI….mol
2ChemicalProperties
【ComputedProperties】
pro_donors:0
pro_acceptors:4
XLogP3:14.0
Bulk/Fine:F
3MaterialMSDS
【secure_wgk_germany】
3
4CMLFile
DICHLORO[(R)-5,5'-BIS[DI(3,5-XYLYL)PHOSPHINO]-4,4'-BI-1,3-BENZODIOXOLE][(1R,2R)-1,2-DIPHENYLETHYLENEDIAMINE]RUTHENIUM(II).cml