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536724-67-1

536724-67-1 | Tricyclohexylphosphine(3-phenyl-1H-inden-1-ylidene)[1,3-bis(2,4,6-trimethylphenyl)-4,5-dihydroimidazol-2-ylidene]ruthenium(II) dichloride

CAS No: 536724-67-1 Catalog No: AG0039P3 MDL No:MFCD08667892

Product Description

Catalog Number:
AG0039P3
Chemical Name:
Tricyclohexylphosphine(3-phenyl-1H-inden-1-ylidene)[1,3-bis(2,4,6-trimethylphenyl)-4,5-dihydroimidazol-2-ylidene]ruthenium(II) dichloride
CAS Number:
536724-67-1
Molecular Formula:
C108H138Cl2N4P2Ru2++
Molecular Weight:
1827.2716
MDL Number:
MFCD08667892
IUPAC Name:
[1,3-bis(2,4,6-trimethylphenyl)imidazolidin-2-ylidene]-dichloro-(3-phenylinden-1-ylidene)ruthenium;tricyclohexylphosphane
InChI:
InChI=1S/C21H26N2.C18H33P.C15H10.2ClH.Ru/c1-14-9-16(3)20(17(4)10-14)22-7-8-23(13-22)21-18(5)11-15(2)12-19(21)6;1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-2-6-12(7-3-1)15-11-10-13-8-4-5-9-14(13)15;;;/h9-12H,7-8H2,1-6H3;16-18H,1-15H2;1-9,11H;2*1H;/q;;;;;+2/p-2
InChI Key:
MCNUJWCJGIGFBS-UHFFFAOYSA-L
SMILES:
C1CCC(CC1)P(C1CCCCC1)C1CCCCC1.C1CCC(CC1)P(C1CCCCC1)C1CCCCC1.Cc1cc(C)c(c(c1)C)N1CCN(C1=[Ru+2]=C1C=C(c2c1cccc2)c1ccccc1)c1c(C)cc(cc1C)C.Cc1cc(C)c(c(c1)C)N1CCN(C1=[Ru+2]=C1C=C(c2c1cccc2)c1ccccc1)c1c(C)cc(cc1C)C.[Cl-].[Cl-]

Properties

Complexity:
1240  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
948.362g/mol
Formal Charge:
0
Heavy Atom Count:
60  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
949.104g/mol
Monoisotopic Mass:
948.362g/mol
Rotatable Bond Count:
6  
Topological Polar Surface Area:
6.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0

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