benzylidene(dichloro)ruthenium;bis(1,3-bis(2-methylphenyl)imidazolidin-2-ide);1,3-bis(2,4,6-trimethylphenyl)imidazolidin-2-ide;dichloro-[(2-propan-2-yloxyphenyl)methylidene]ruthenium;bis(dichloro(tricyclohexylphosphaniumylmethylidene)ruthenium);bis(tricyclohexylphosphanium)

C146H219Cl8N6OP4Ru4+ — CID 157447472

IUPACbenzylidene(dichloro)ruthenium;bis(1,3-bis(2-methylphenyl)imidazolidin-2-ide);1,3-bis(2,4,6-trimethylphenyl)imidazolidin-2-ide;dichloro-[(2-propan-2-yloxyphenyl)methylidene]ruthenium;bis(dichloro(tricyclohexylphosphaniumylmethylidene)ruthenium);bis(tricyclohexylphosphanium)
SMILESC1CCC([PH+](C2CCCCC2)C2CCCCC2)CC1.C1CCC([PH+](C2CCCCC2)C2CCCCC2)CC1.CC(C)Oc1ccccc1C=[Ru](Cl)Cl.Cc1cc(C)c(N2[CH-]N(c3c(C)cc(C)cc3C)CC2)c(C)c1.Cc1ccccc1N1[CH-]N(c2ccccc2C)CC1.Cc1ccccc1N1[CH-]N(c2ccccc2C)CC1.Cl[Ru](Cl)=C[P+](C1CCCCC1)(C1CCCCC1)C1CCCCC1.Cl[Ru](Cl)=C[P+](C1CCCCC1)(C1CCCCC1)C1CCCCC1.Cl[Ru](Cl)=Cc1ccccc1
InChIInChI=1S/C21H27N2.2C19H34P.2C18H33P.2C17H19N2.C10H12O.C7H6.8ClH.4Ru/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;2*1-20(17-11-5-2-6-12-17,18-13-7-3-8-14-18)19-15-9-4-10-16-19;2*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;2*1-14-7-3-5-9-16(14)18-11-12-19(13-18)17-10-6-4-8-15(17)2;1-8(2)11-10-7-5-4-6-9(10)3;1-7-5-3-2-4-6-7;;;;;;;;;;;;/h9-13H,7-8H2,1-6H3;2*1,17-19H,2-16H2;2*16-18H,1-15H2;2*3-10,13H,11-12H2,1-2H3;3-8H,1-2H3;1-6H;8*1H;;;;/q-1;2*+1;;;2*-1;;;;;;;;;;;4*+2/p-6
InChIKeyGJDDYDKAJQRPBQ-UHFFFAOYSA-H
MW2886.20 g/mol
LogP46.57
Rot. Bonds24

About benzylidene(dichloro)ruthenium;bis(1,3-bis(2-methylphenyl)imidazolidin-2-ide);1,3-bis(2,4,6-trimethylphenyl)imidazolidin-2-ide;dichloro-[(2-propan-2-yloxyphenyl)methylidene]ruthenium;bis(dichloro(tricyclohexylphosphaniumylmethylidene)ruthenium);bis(tricyclohexylphosphanium)

benzylidene(dichloro)ruthenium;bis(1,3-bis(2-methylphenyl)imidazolidin-2-ide);1,3-bis(2,4,6-trimethylphenyl)imidazolidin-2-ide;dichloro-[(2-propan-2-yloxyphenyl)methylidene]ruthenium;bis(dichloro(tricyclohexylphosphaniumylmethylidene)ruthenium);bis(tricyclohexylphosphanium) (PubChem CID 157447472) has the molecular formula C146H219Cl8N6OP4Ru4+ and a molecular weight of 2886.20 g/mol. Its IUPAC name is benzylidene(dichloro)ruthenium;bis(1,3-bis(2-methylphenyl)imidazolidin-2-ide);1,3-bis(2,4,6-trimethylphenyl)imidazolidin-2-ide;dichloro-[(2-propan-2-yloxyphenyl)methylidene]ruthenium;bis(dichloro(tricyclohexylphosphaniumylmethylidene)ruthenium);bis(tricyclohexylphosphanium).

Molecular Properties

Compound Namebenzylidene(dichloro)ruthenium;bis(1,3-bis(2-methylphenyl)imidazolidin-2-ide);1,3-bis(2,4,6-trimethylphenyl)imidazolidin-2-ide;dichloro-[(2-propan-2-yloxyphenyl)methylidene]ruthenium;bis(dichloro(tricyclohexylphosphaniumylmethylidene)ruthenium);bis(tricyclohexylphosphanium)
PubChem CID157447472
Molecular FormulaC146H219Cl8N6OP4Ru4+
Molecular Weight2886.20 g/mol
Exact Mass2883.99
IUPAC Namebenzylidene(dichloro)ruthenium;bis(1,3-bis(2-methylphenyl)imidazolidin-2-ide);1,3-bis(2,4,6-trimethylphenyl)imidazolidin-2-ide;dichloro-[(2-propan-2-yloxyphenyl)methylidene]ruthenium;bis(dichloro(tricyclohexylphosphaniumylmethylidene)ruthenium);bis(tricyclohexylphosphanium)
SMILESC1CCC([PH+](C2CCCCC2)C2CCCCC2)CC1.C1CCC([PH+](C2CCCCC2)C2CCCCC2)CC1.CC(C)Oc1ccccc1C=[Ru](Cl)Cl.Cc1cc(C)c(N2[CH-]N(c3c(C)cc(C)cc3C)CC2)c(C)c1.Cc1ccccc1N1[CH-]N(c2ccccc2C)CC1.Cc1ccccc1N1[CH-]N(c2ccccc2C)CC1.Cl[Ru](Cl)=C[P+](C1CCCCC1)(C1CCCCC1)C1CCCCC1.Cl[Ru](Cl)=C[P+](C1CCCCC1)(C1CCCCC1)C1CCCCC1.Cl[Ru](Cl)=Cc1ccccc1
InChIInChI=1S/C21H27N2.2C19H34P.2C18H33P.2C17H19N2.C10H12O.C7H6.8ClH.4Ru/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;2*1-20(17-11-5-2-6-12-17,18-13-7-3-8-14-18)19-15-9-4-10-16-19;2*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;2*1-14-7-3-5-9-16(14)18-11-12-19(13-18)17-10-6-4-8-15(17)2;1-8(2)11-10-7-5-4-6-9(10)3;1-7-5-3-2-4-6-7;;;;;;;;;;;;/h9-13H,7-8H2,1-6H3;2*1,17-19H,2-16H2;2*16-18H,1-15H2;2*3-10,13H,11-12H2,1-2H3;3-8H,1-2H3;1-6H;8*1H;;;;/q-1;2*+1;;;2*-1;;;;;;;;;;;4*+2/p-6
InChIKeyGJDDYDKAJQRPBQ-UHFFFAOYSA-H
XLogP46.57
TPSA28.67 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds24
Heavy Atoms169
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002886.20
LogP ≤ 546.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

Analyze benzylidene(dichloro)ruthenium;bis(1,3-bis(2-methylphenyl)imidazolidin-2-ide);1,3-bis(2,4,6-trimethylphenyl)imidazolidin-2-ide;dichloro-[(2-propan-2-yloxyphenyl)methylidene]ruthenium;bis(dichloro(tricyclohexylphosphaniumylmethylidene)ruthenium);bis(tricyclohexylphosphanium) with MolForge

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Related Compounds

tris(benzylidene(dichloro)ruthenium);bis(1,3-bis[2,6-di(propan-2-yl)phenyl]imidazolidin-2-ide);bis(1,3-bis(2-methylphenyl)imidazolidin-2-ide);1,3-bis(2,4,6-trimethylphenyl)imidazolidin-2-ide;bis(3-bromopyridine);bis(dichloro-[(2-propan-2-yloxyphenyl)methylidene]ruthenium);bis(tricyclohexylphosphanium)
CID 163768299
benzylidene(dichloro)ruthenium;tris(1,3-bis(2,4,6-trimethylphenyl)imidazolidin-2-ide);dichloro-(3-phenylinden-1-ylidene)ruthenium;dichloro-[(2-propan-2-yloxyphenyl)methylidene]ruthenium;bis(tricyclohexylphosphanium)
CID 162285742
benzylidene(dichloro)ruthenium;1,3-bis(2,4,6-trimethylphenyl)imidazolidin-2-ide;methane;tricyclohexylphosphanium
CID 161205755
1-adamantan-2-id-1-yl-3-(2,4,6-trimethylphenyl)imidazolidin-2-ide;bis(benzylidene(dichloro)ruthenium);1,3-bis(2-methylphenyl)imidazolidin-2-ide;tris(1,3-bis(2,4,6-trimethylphenyl)imidazolidin-2-ide);chloro-[(5-nitro-2-propan-2-yloxyphenyl)methylidene]ruthenium;dichloro-[(5-nitro-2-propan-2-yloxyphenyl)methylidene]ruthenium;bis(dichloro-[(2-propan-2-yloxyphenyl)methylidene]ruthenium);dihydroxy(oxo)azanium;tris(tricyclohexylphosphanium)
CID 161445120
1-(1-adamantyl)-3-(2,4,6-trimethylphenyl)imidazolidin-2-ide;azorous acid;1,3-bis(2,4,6-trimethylphenyl)imidazolidin-2-ide;bis(dichloro-[(2-propan-2-yloxyphenyl)methylidene]ruthenium);(2-propan-2-yloxyphenyl)methylideneruthenium(1+);tricyclohexylphosphanium
CID 159708849
tetrakis(benzylidene(dichloro)ruthenium);bis(3-bromopyridine);cyclopentane;dichloro-[(2-propan-2-yloxyphenyl)methylidene]ruthenium;tetrakis(tricyclohexylphosphanium);tris(1-(2,4,6-trimethylphenyl)pyrrolidin-5-ide)
CID 160899597
dichloro-[(2-propan-2-yloxyphenyl)methylidene]ruthenium;1-methyl-3-(2,4,6-trimethylphenyl)imidazolidin-2-ide
CID 20767012
1-benzyl-3-(2,4,6-trimethylphenyl)imidazolidin-2-ide;dichloro-[(2-propan-2-yloxyphenyl)methylidene]ruthenium
CID 153489728
potassium;bis(1,3-bis(2,4,6-trimethylphenyl)imidazolidin-2-ide);chloro-[(2-propan-2-yloxyphenyl)methylidene]ruthenium;dichloro-[(2-propan-2-yloxyphenyl)methylidene]ruthenium;bis(2,4,6-triphenylbenzenethiolate)
CID 159726892
potassium;bis(1,3-bis(2,4,6-trimethylphenyl)imidazolidin-2-ide);chloro-[(2-propan-2-yloxyphenyl)methylidene]ruthenium;dichloro-[(2-propan-2-yloxyphenyl)methylidene]ruthenium;bis(2,6-dimethylbenzenethiolate);methane;molecular hydrogen
CID 160794293
benzylidene(chloro)ruthenium;1,3-bis(2,4,6-trimethylphenyl)imidazolidin-2-ide;carbanide;dichloro-[(3-phenyl-2-propan-2-yloxyphenyl)methylidene]ruthenium;dichloro-[(2-propan-2-yloxyphenyl)methylidene]ruthenium;dichloro(3-pyridin-2-ylpropylidene)ruthenium;diphenyl(pyridin-2-yl)methanol;tricyclohexylphosphanium
CID 159835528
bis(1,3-bis(2,4,6-trimethylphenyl)imidazolidin-2-ide);tris(dichloro-[(2-propan-2-yloxoniophenyl)methylidene]ruthenium);nitromethane;tricyclohexylphosphanium
CID 159920023

Frequently Asked Questions

What is the IUPAC name of benzylidene(dichloro)ruthenium;bis(1,3-bis(2-methylphenyl)imidazolidin-2-ide);1,3-bis(2,4,6-trimethylphenyl)imidazolidin-2-ide;dichloro-[(2-propan-2-yloxyphenyl)methylidene]ruthenium;bis(dichloro(tricyclohexylphosphaniumylmethylidene)ruthenium);bis(tricyclohexylphosphanium)?
The IUPAC name of benzylidene(dichloro)ruthenium;bis(1,3-bis(2-methylphenyl)imidazolidin-2-ide);1,3-bis(2,4,6-trimethylphenyl)imidazolidin-2-ide;dichloro-[(2-propan-2-yloxyphenyl)methylidene]ruthenium;bis(dichloro(tricyclohexylphosphaniumylmethylidene)ruthenium);bis(tricyclohexylphosphanium) (CID 157447472) is benzylidene(dichloro)ruthenium;bis(1,3-bis(2-methylphenyl)imidazolidin-2-ide);1,3-bis(2,4,6-trimethylphenyl)imidazolidin-2-ide;dichloro-[(2-propan-2-yloxyphenyl)methylidene]ruthenium;bis(dichloro(tricyclohexylphosphaniumylmethylidene)ruthenium);bis(tricyclohexylphosphanium).
What is the SMILES notation for benzylidene(dichloro)ruthenium;bis(1,3-bis(2-methylphenyl)imidazolidin-2-ide);1,3-bis(2,4,6-trimethylphenyl)imidazolidin-2-ide;dichloro-[(2-propan-2-yloxyphenyl)methylidene]ruthenium;bis(dichloro(tricyclohexylphosphaniumylmethylidene)ruthenium);bis(tricyclohexylphosphanium)?
The canonical SMILES for benzylidene(dichloro)ruthenium;bis(1,3-bis(2-methylphenyl)imidazolidin-2-ide);1,3-bis(2,4,6-trimethylphenyl)imidazolidin-2-ide;dichloro-[(2-propan-2-yloxyphenyl)methylidene]ruthenium;bis(dichloro(tricyclohexylphosphaniumylmethylidene)ruthenium);bis(tricyclohexylphosphanium) is C1CCC([PH+](C2CCCCC2)C2CCCCC2)CC1.C1CCC([PH+](C2CCCCC2)C2CCCCC2)CC1.CC(C)Oc1ccccc1C=[Ru](Cl)Cl.Cc1cc(C)c(N2[CH-]N(c3c(C)cc(C)cc3C)CC2)c(C)c1.Cc1ccccc1N1[CH-]N(c2ccccc2C)CC1.Cc1ccccc1N1[CH-]N(c2ccccc2C)CC1.Cl[Ru](Cl)=C[P+](C1CCCCC1)(C1CCCCC1)C1CCCCC1.Cl[Ru](Cl)=C[P+](C1CCCCC1)(C1CCCCC1)C1CCCCC1.Cl[Ru](Cl)=Cc1ccccc1.
What is the InChIKey of benzylidene(dichloro)ruthenium;bis(1,3-bis(2-methylphenyl)imidazolidin-2-ide);1,3-bis(2,4,6-trimethylphenyl)imidazolidin-2-ide;dichloro-[(2-propan-2-yloxyphenyl)methylidene]ruthenium;bis(dichloro(tricyclohexylphosphaniumylmethylidene)ruthenium);bis(tricyclohexylphosphanium)?
The InChIKey is GJDDYDKAJQRPBQ-UHFFFAOYSA-H. The full InChI is InChI=1S/C21H27N2.2C19H34P.2C18H33P.2C17H19N2.C10H12O.C7H6.8ClH.4Ru/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;2*1-20(17-11-5-2-6-12-17,18-13-7-3-8-14-18)19-15-9-4-10-16-19;2*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;2*1-14-7-3-5-9-16(14)18-11-12-19(13-18)17-10-6-4-8-15(17)2;1-8(2)11-10-7-5-4-6-9(10)3;1-7-5-3-2-4-6-7;;;;;;;;;;;;/h9-13H,7-8H2,1-6H3;2*1,17-19H,2-16H2;2*16-18H,1-15H2;2*3-10,13H,11-12H2,1-2H3;3-8H,1-2H3;1-6H;8*1H;;;;/q-1;2*+1;;;2*-1;;;;;;;;;;;4*+2/p-6.
What are the key properties of benzylidene(dichloro)ruthenium;bis(1,3-bis(2-methylphenyl)imidazolidin-2-ide);1,3-bis(2,4,6-trimethylphenyl)imidazolidin-2-ide;dichloro-[(2-propan-2-yloxyphenyl)methylidene]ruthenium;bis(dichloro(tricyclohexylphosphaniumylmethylidene)ruthenium);bis(tricyclohexylphosphanium)?
benzylidene(dichloro)ruthenium;bis(1,3-bis(2-methylphenyl)imidazolidin-2-ide);1,3-bis(2,4,6-trimethylphenyl)imidazolidin-2-ide;dichloro-[(2-propan-2-yloxyphenyl)methylidene]ruthenium;bis(dichloro(tricyclohexylphosphaniumylmethylidene)ruthenium);bis(tricyclohexylphosphanium) has a molecular weight of 2886.20 g/mol, XLogP of 46.57, 24 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for benzylidene(dichloro)ruthenium;bis(1,3-bis(2-methylphenyl)imidazolidin-2-ide);1,3-bis(2,4,6-trimethylphenyl)imidazolidin-2-ide;dichloro-[(2-propan-2-yloxyphenyl)methylidene]ruthenium;bis(dichloro(tricyclohexylphosphaniumylmethylidene)ruthenium);bis(tricyclohexylphosphanium) is sourced from PubChem (CID 157447472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).