CAS 934538-04-2 [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

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;

Purity

98%

Appearance

Solid

Complexity

1610

Covalently-Bonded Unit Count

Defined Bond Stereocenter Count

Exact Mass

888.238g/mol

Formal Charge

-2

H-Bond Acceptor

H-Bond Donor

Heavy Atom Count

Monoisotopic Mass

888.238g/mol

Rotatable Bond Count

Topological Polar Surface Area

81.4A^2