[1,3-Bis(2,4,6-trimethylphenyl)-2-imidazolidinylidene]-[2-[[(4-methylphenyl)imino]methyl]-4-nitrophenolyl]-[3-phenyl-1H-inden-1-ylidene]ruthenium(II) chloride

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Catalog Number
ACM934538042-1
Product Name
[1,3-Bis(2,4,6-trimethylphenyl)-2-imidazolidinylidene]-[2-[[(4-methylphenyl)imino]methyl]-4-nitrophenolyl]-[3-phenyl-1H-inden-1-ylidene]ruthenium(II) chloride
Structure
Structure
CAS
934538-04-2
Category
Ruthenium series catalysts
Synonyms
SCHEMBL2232774;[1,3-BIS(2,4,6-TRIMETHYLPHENYL)-2-IMIDAZOLIDINYLIDENE]-[2-[[(4-METHYLPHENYL)IMINO]METHYL]-4-NITROPHENOLYL]-[3-PHENYL-1H-INDEN-1-YLIDENE]RUTHENIUM(II) CHLORIDE;934538-04-2;
IUPAC Name
[1,3-bis(2,4,6-trimethylphenyl)imidazolidin-2-ylidene]-(3-phenylinden-1-ylidene)ruthenium;(6Z)-6-[(4-methylanilino)methylidene]-2-nitrocyclohexa-2,4-dien-1-one;chloride;
Molecular Weight
888.47
Molecular Formula
C50H47ClN4O3Ru
Canonical SMILES
CC1=CC=C(C=C1)NC=C2[C-]=CC=C(C2=O)[N+](=O)[O-].CC1=CC(=C(C(=C1)C)N2CCN(C2=[Ru]=C3C=C(C4=CC=CC=C43)C5=CC=CC=C5)C6=C(C=C(C=C6C)C)C)C.[Cl-];
InChI
InChI=1S/C21H26N2.C15H10.C14H11N2O3.ClH.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;1-2-6-12(7-3-1)15-11-10-13-8-4-5-9-14(13)15;1-10-5-7-12(8-6-10)15-9-11-3-2-4-13(14(11)17)16(18)19;;/h9-12H,7-8H2,1-6H3;1-9,11H;2,4-9,15H,1H3;1H;/q;;-1;;/p-1/b;;11-9-;;;
InChI Key
YRLRPIZHZTWWPV-SLMORGDHSA-M;
Appearance
Solid
Application
Highly active catalyst for ring opening and ring closing metathesis reactions.
Complexity
1610
Covalently-Bonded Unit Count
3
Defined Bond Stereocenter Count
1
Exact Mass
888.238g/mol
Formal Charge
-2
H-Bond Acceptor
8
H-Bond Donor
1
Heavy Atom Count
59
Monoisotopic Mass
888.238g/mol
Rotatable Bond Count
5
Topological Polar Surface Area
81.4A^2
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