pentakis(benzylidene(dichloro)ruthenium);1,3-bis[2,6-di(propan-2-yl)phenyl]imidazolidin-2-ide;1,3-bis(2,4,6-trimethylphenyl)-2H-imidazol-2-ide;bis(1,3-bis(2,4,6-trimethylphenyl)imidazolidin-2-ide);carbanide;carbanylium;dichloro-[[2-[methanidyl(propan-2-yl)oxonio]phenyl]methylidene]ruthenium;bis(dichloro(3-methylbut-2-enylidene)ruthenium);octakis(tricyclohexylphosphanium)

C294H462Cl16N8OP8Ru8+4 — CID 158920020

IUPACpentakis(benzylidene(dichloro)ruthenium);1,3-bis[2,6-di(propan-2-yl)phenyl]imidazolidin-2-ide;1,3-bis(2,4,6-trimethylphenyl)-2H-imidazol-2-ide;bis(1,3-bis(2,4,6-trimethylphenyl)imidazolidin-2-ide);carbanide;carbanylium;dichloro-[[2-[methanidyl(propan-2-yl)oxonio]phenyl]methylidene]ruthenium;bis(dichloro(3-methylbut-2-enylidene)ruthenium);octakis(tricyclohexylphosphanium)
SMILESC1CCC([PH+](C2CCCCC2)C2CCCCC2)CC1.C1CCC([PH+](C2CCCCC2)C2CCCCC2)CC1.C1CCC([PH+](C2CCCCC2)C2CCCCC2)CC1.C1CCC([PH+](C2CCCCC2)C2CCCCC2)CC1.C1CCC([PH+](C2CCCCC2)C2CCCCC2)CC1.C1CCC([PH+](C2CCCCC2)C2CCCCC2)CC1.C1CCC([PH+](C2CCCCC2)C2CCCCC2)CC1.C1CCC([PH+](C2CCCCC2)C2CCCCC2)CC1.CC(C)=CC=[Ru](Cl)Cl.CC(C)=CC=[Ru](Cl)Cl.CC(C)c1cccc(C(C)C)c1N1[CH-]N(c2c(C(C)C)cccc2C(C)C)CC1.Cc1cc(C)c(N2C=CN(c3c(C)cc(C)cc3C)[CH-]2)c(C)c1.Cc1cc(C)c(N2[CH-]N(c3c(C)cc(C)cc3C)CC2)c(C)c1.Cc1cc(C)c(N2[CH-]N(c3c(C)cc(C)cc3C)CC2)c(C)c1.Cl[Ru](Cl)=Cc1ccccc1.Cl[Ru](Cl)=Cc1ccccc1.Cl[Ru](Cl)=Cc1ccccc1.Cl[Ru](Cl)=Cc1ccccc1.Cl[Ru](Cl)=Cc1ccccc1.[CH2-][O+](c1ccccc1C=[Ru](Cl)Cl)C(C)C.[CH3+].[CH3+].[CH3-].[CH3-]
InChIInChI=1S/C27H39N2.2C21H27N2.C21H25N2.8C18H33P.C11H14O.5C7H6.2C5H8.4CH3.16ClH.8Ru/c1-18(2)22-11-9-12-23(19(3)4)26(22)28-15-16-29(17-28)27-24(20(5)6)13-10-14-25(27)21(7)8;3*1-14-9-16(3)20(17(4)10-14)22-7-8-23(13-22)21-18(5)11-15(2)12-19(21)6;8*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-9(2)12(4)11-8-6-5-7-10(11)3;5*1-7-5-3-2-4-6-7;2*1-4-5(2)3;;;;;;;;;;;;;;;;;;;;;;;;;;;;/h9-14,17-21H,15-16H2,1-8H3;2*9-13H,7-8H2,1-6H3;7-13H,1-6H3;8*16-18H,1-15H2;3,5-9H,4H2,1-2H3;5*1-6H;2*1,4H,2-3H3;4*1H3;16*1H;;;;;;;;/q4*-1;;;;;;;;;;;;;;;;;2*-1;2*+1;;;;;;;;;;;;;;;;;8*+2/p-8
InChIKeyKIQQNOVOXIJOFE-UHFFFAOYSA-F
MW5748.59 g/mol
LogP97.84
Rot. Bonds46

About pentakis(benzylidene(dichloro)ruthenium);1,3-bis[2,6-di(propan-2-yl)phenyl]imidazolidin-2-ide;1,3-bis(2,4,6-trimethylphenyl)-2H-imidazol-2-ide;bis(1,3-bis(2,4,6-trimethylphenyl)imidazolidin-2-ide);carbanide;carbanylium;dichloro-[[2-[methanidyl(propan-2-yl)oxonio]phenyl]methylidene]ruthenium;bis(dichloro(3-methylbut-2-enylidene)ruthenium);octakis(tricyclohexylphosphanium)

pentakis(benzylidene(dichloro)ruthenium);1,3-bis[2,6-di(propan-2-yl)phenyl]imidazolidin-2-ide;1,3-bis(2,4,6-trimethylphenyl)-2H-imidazol-2-ide;bis(1,3-bis(2,4,6-trimethylphenyl)imidazolidin-2-ide);carbanide;carbanylium;dichloro-[[2-[methanidyl(propan-2-yl)oxonio]phenyl]methylidene]ruthenium;bis(dichloro(3-methylbut-2-enylidene)ruthenium);octakis(tricyclohexylphosphanium) (PubChem CID 158920020) has the molecular formula C294H462Cl16N8OP8Ru8+4 and a molecular weight of 5748.59 g/mol. Its IUPAC name is pentakis(benzylidene(dichloro)ruthenium);1,3-bis[2,6-di(propan-2-yl)phenyl]imidazolidin-2-ide;1,3-bis(2,4,6-trimethylphenyl)-2H-imidazol-2-ide;bis(1,3-bis(2,4,6-trimethylphenyl)imidazolidin-2-ide);carbanide;carbanylium;dichloro-[[2-[methanidyl(propan-2-yl)oxonio]phenyl]methylidene]ruthenium;bis(dichloro(3-methylbut-2-enylidene)ruthenium);octakis(tricyclohexylphosphanium).

Molecular Properties

Compound Namepentakis(benzylidene(dichloro)ruthenium);1,3-bis[2,6-di(propan-2-yl)phenyl]imidazolidin-2-ide;1,3-bis(2,4,6-trimethylphenyl)-2H-imidazol-2-ide;bis(1,3-bis(2,4,6-trimethylphenyl)imidazolidin-2-ide);carbanide;carbanylium;dichloro-[[2-[methanidyl(propan-2-yl)oxonio]phenyl]methylidene]ruthenium;bis(dichloro(3-methylbut-2-enylidene)ruthenium);octakis(tricyclohexylphosphanium)
PubChem CID158920020
Molecular FormulaC294H462Cl16N8OP8Ru8+4
Molecular Weight5748.59 g/mol
Exact Mass5744.16
IUPAC Namepentakis(benzylidene(dichloro)ruthenium);1,3-bis[2,6-di(propan-2-yl)phenyl]imidazolidin-2-ide;1,3-bis(2,4,6-trimethylphenyl)-2H-imidazol-2-ide;bis(1,3-bis(2,4,6-trimethylphenyl)imidazolidin-2-ide);carbanide;carbanylium;dichloro-[[2-[methanidyl(propan-2-yl)oxonio]phenyl]methylidene]ruthenium;bis(dichloro(3-methylbut-2-enylidene)ruthenium);octakis(tricyclohexylphosphanium)
SMILESC1CCC([PH+](C2CCCCC2)C2CCCCC2)CC1.C1CCC([PH+](C2CCCCC2)C2CCCCC2)CC1.C1CCC([PH+](C2CCCCC2)C2CCCCC2)CC1.C1CCC([PH+](C2CCCCC2)C2CCCCC2)CC1.C1CCC([PH+](C2CCCCC2)C2CCCCC2)CC1.C1CCC([PH+](C2CCCCC2)C2CCCCC2)CC1.C1CCC([PH+](C2CCCCC2)C2CCCCC2)CC1.C1CCC([PH+](C2CCCCC2)C2CCCCC2)CC1.CC(C)=CC=[Ru](Cl)Cl.CC(C)=CC=[Ru](Cl)Cl.CC(C)c1cccc(C(C)C)c1N1[CH-]N(c2c(C(C)C)cccc2C(C)C)CC1.Cc1cc(C)c(N2C=CN(c3c(C)cc(C)cc3C)[CH-]2)c(C)c1.Cc1cc(C)c(N2[CH-]N(c3c(C)cc(C)cc3C)CC2)c(C)c1.Cc1cc(C)c(N2[CH-]N(c3c(C)cc(C)cc3C)CC2)c(C)c1.Cl[Ru](Cl)=Cc1ccccc1.Cl[Ru](Cl)=Cc1ccccc1.Cl[Ru](Cl)=Cc1ccccc1.Cl[Ru](Cl)=Cc1ccccc1.Cl[Ru](Cl)=Cc1ccccc1.[CH2-][O+](c1ccccc1C=[Ru](Cl)Cl)C(C)C.[CH3+].[CH3+].[CH3-].[CH3-]
InChIInChI=1S/C27H39N2.2C21H27N2.C21H25N2.8C18H33P.C11H14O.5C7H6.2C5H8.4CH3.16ClH.8Ru/c1-18(2)22-11-9-12-23(19(3)4)26(22)28-15-16-29(17-28)27-24(20(5)6)13-10-14-25(27)21(7)8;3*1-14-9-16(3)20(17(4)10-14)22-7-8-23(13-22)21-18(5)11-15(2)12-19(21)6;8*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-9(2)12(4)11-8-6-5-7-10(11)3;5*1-7-5-3-2-4-6-7;2*1-4-5(2)3;;;;;;;;;;;;;;;;;;;;;;;;;;;;/h9-14,17-21H,15-16H2,1-8H3;2*9-13H,7-8H2,1-6H3;7-13H,1-6H3;8*16-18H,1-15H2;3,5-9H,4H2,1-2H3;5*1-6H;2*1,4H,2-3H3;4*1H3;16*1H;;;;;;;;/q4*-1;;;;;;;;;;;;;;;;;2*-1;2*+1;;;;;;;;;;;;;;;;;8*+2/p-8
InChIKeyKIQQNOVOXIJOFE-UHFFFAOYSA-F
XLogP97.84
TPSA28.62 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds46
Heavy Atoms335
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5005748.59
LogP ≤ 597.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze pentakis(benzylidene(dichloro)ruthenium);1,3-bis[2,6-di(propan-2-yl)phenyl]imidazolidin-2-ide;1,3-bis(2,4,6-trimethylphenyl)-2H-imidazol-2-ide;bis(1,3-bis(2,4,6-trimethylphenyl)imidazolidin-2-ide);carbanide;carbanylium;dichloro-[[2-[methanidyl(propan-2-yl)oxonio]phenyl]methylidene]ruthenium;bis(dichloro(3-methylbut-2-enylidene)ruthenium);octakis(tricyclohexylphosphanium) with MolForge

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Related Compounds

pentakis(benzylidene(dichloro)ruthenium);1,3-bis[2,6-di(propan-2-yl)phenyl]imidazolidin-2-ide;1,3-bis(2,4,6-trimethylphenyl)-2H-imidazol-2-ide;bis(1,3-bis(2,4,6-trimethylphenyl)imidazolidin-2-ide);carbanide;carbanylium;bis(dichloro(3-methylbut-2-enylidene)ruthenium);dichloro-[(2-propan-2-yloxoniophenyl)methylidene]ruthenium;octakis(tricyclohexylphosphanium)
CID 161242154
benzylidene(dichloro)ruthenium;1,3-bis(3,5-ditert-butylphenyl)imidazolidin-2-ide;1,3-bis[2,6-di(propan-2-yl)phenyl]imidazolidin-2-ide;carbanide;dichloro(3-methylbut-2-enylidene)ruthenium;dichloro-[(2-propan-2-yloxoniophenyl)methylidene]ruthenium;bis(tricyclohexylphosphanium)
CID 162260168
benzylidene(dichloro)ruthenium;1,3-bis(2,4,6-trimethylphenyl)imidazolidin-2-ide;methane;tricyclohexylphosphanium
CID 161205755
benzylidene(dichloro)ruthenium;tris(1,3-bis(2,4,6-trimethylphenyl)imidazolidin-2-ide);dichloro-[[2-[ethyl(methanidyl)oxonio]phenyl]methylidene]ruthenium;dichloro-[[2-[methanidyl(methyl)oxonio]-5-methoxyphenyl]methylidene]ruthenium;dichloro(3-methylbut-2-enylidene)ruthenium;dichloro-[(2-propan-2-yloxoniophenyl)methylidene]ruthenium;dichloro(tricyclohexylphosphaniumylmethylidene)ruthenium;1-[2,6-di(propan-2-yl)phenyl]-2,2,4,4-tetramethylpyrrolidin-5-ide;tetrakis(tricyclohexylphosphanium);trifluoroborane;fluoride
CID 160609506
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
CID 159977296
CID 159977296
benzylidene(dichloro)ruthenium;2-methanidyl-1,3-bis(2,4,6-trimethylphenyl)imidazolidine;tricyclohexylphosphanium
CID 59130198
benzylidene(dichloro)ruthenium;1,3-bis[2,6-di(propan-2-yl)phenyl]imidazolidin-2-ide;carbanide
CID 59365574
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
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
tetrakis(benzylidene(dichloro)ruthenium);bis(1,3-bis(4-methoxy-2,6-dimethylphenyl)-2H-imidazol-2-ide);bis(1,3-bis(4-methoxy-2,6-dimethylphenyl)imidazolidin-2-ide);bis(1,3-bis(2,4,6-trimethylphenyl)-2H-imidazol-2-ide);bis(1,3-bis(2,4,6-trimethylphenyl)imidazolidin-2-ide)
CID 165091824
1,3-bis(2,4,6-trimethylphenyl)imidazolidin-2-ide;carbanide;chloro-[[2-[methanidyl(propan-2-yl)oxonio]phenyl]methylidene]ruthenium
CID 59685243

Frequently Asked Questions

What is the IUPAC name of pentakis(benzylidene(dichloro)ruthenium);1,3-bis[2,6-di(propan-2-yl)phenyl]imidazolidin-2-ide;1,3-bis(2,4,6-trimethylphenyl)-2H-imidazol-2-ide;bis(1,3-bis(2,4,6-trimethylphenyl)imidazolidin-2-ide);carbanide;carbanylium;dichloro-[[2-[methanidyl(propan-2-yl)oxonio]phenyl]methylidene]ruthenium;bis(dichloro(3-methylbut-2-enylidene)ruthenium);octakis(tricyclohexylphosphanium)?
The IUPAC name of pentakis(benzylidene(dichloro)ruthenium);1,3-bis[2,6-di(propan-2-yl)phenyl]imidazolidin-2-ide;1,3-bis(2,4,6-trimethylphenyl)-2H-imidazol-2-ide;bis(1,3-bis(2,4,6-trimethylphenyl)imidazolidin-2-ide);carbanide;carbanylium;dichloro-[[2-[methanidyl(propan-2-yl)oxonio]phenyl]methylidene]ruthenium;bis(dichloro(3-methylbut-2-enylidene)ruthenium);octakis(tricyclohexylphosphanium) (CID 158920020) is pentakis(benzylidene(dichloro)ruthenium);1,3-bis[2,6-di(propan-2-yl)phenyl]imidazolidin-2-ide;1,3-bis(2,4,6-trimethylphenyl)-2H-imidazol-2-ide;bis(1,3-bis(2,4,6-trimethylphenyl)imidazolidin-2-ide);carbanide;carbanylium;dichloro-[[2-[methanidyl(propan-2-yl)oxonio]phenyl]methylidene]ruthenium;bis(dichloro(3-methylbut-2-enylidene)ruthenium);octakis(tricyclohexylphosphanium).
What is the SMILES notation for pentakis(benzylidene(dichloro)ruthenium);1,3-bis[2,6-di(propan-2-yl)phenyl]imidazolidin-2-ide;1,3-bis(2,4,6-trimethylphenyl)-2H-imidazol-2-ide;bis(1,3-bis(2,4,6-trimethylphenyl)imidazolidin-2-ide);carbanide;carbanylium;dichloro-[[2-[methanidyl(propan-2-yl)oxonio]phenyl]methylidene]ruthenium;bis(dichloro(3-methylbut-2-enylidene)ruthenium);octakis(tricyclohexylphosphanium)?
The canonical SMILES for pentakis(benzylidene(dichloro)ruthenium);1,3-bis[2,6-di(propan-2-yl)phenyl]imidazolidin-2-ide;1,3-bis(2,4,6-trimethylphenyl)-2H-imidazol-2-ide;bis(1,3-bis(2,4,6-trimethylphenyl)imidazolidin-2-ide);carbanide;carbanylium;dichloro-[[2-[methanidyl(propan-2-yl)oxonio]phenyl]methylidene]ruthenium;bis(dichloro(3-methylbut-2-enylidene)ruthenium);octakis(tricyclohexylphosphanium) is C1CCC([PH+](C2CCCCC2)C2CCCCC2)CC1.C1CCC([PH+](C2CCCCC2)C2CCCCC2)CC1.C1CCC([PH+](C2CCCCC2)C2CCCCC2)CC1.C1CCC([PH+](C2CCCCC2)C2CCCCC2)CC1.C1CCC([PH+](C2CCCCC2)C2CCCCC2)CC1.C1CCC([PH+](C2CCCCC2)C2CCCCC2)CC1.C1CCC([PH+](C2CCCCC2)C2CCCCC2)CC1.C1CCC([PH+](C2CCCCC2)C2CCCCC2)CC1.CC(C)=CC=[Ru](Cl)Cl.CC(C)=CC=[Ru](Cl)Cl.CC(C)c1cccc(C(C)C)c1N1[CH-]N(c2c(C(C)C)cccc2C(C)C)CC1.Cc1cc(C)c(N2C=CN(c3c(C)cc(C)cc3C)[CH-]2)c(C)c1.Cc1cc(C)c(N2[CH-]N(c3c(C)cc(C)cc3C)CC2)c(C)c1.Cc1cc(C)c(N2[CH-]N(c3c(C)cc(C)cc3C)CC2)c(C)c1.Cl[Ru](Cl)=Cc1ccccc1.Cl[Ru](Cl)=Cc1ccccc1.Cl[Ru](Cl)=Cc1ccccc1.Cl[Ru](Cl)=Cc1ccccc1.Cl[Ru](Cl)=Cc1ccccc1.[CH2-][O+](c1ccccc1C=[Ru](Cl)Cl)C(C)C.[CH3+].[CH3+].[CH3-].[CH3-].
What is the InChIKey of pentakis(benzylidene(dichloro)ruthenium);1,3-bis[2,6-di(propan-2-yl)phenyl]imidazolidin-2-ide;1,3-bis(2,4,6-trimethylphenyl)-2H-imidazol-2-ide;bis(1,3-bis(2,4,6-trimethylphenyl)imidazolidin-2-ide);carbanide;carbanylium;dichloro-[[2-[methanidyl(propan-2-yl)oxonio]phenyl]methylidene]ruthenium;bis(dichloro(3-methylbut-2-enylidene)ruthenium);octakis(tricyclohexylphosphanium)?
The InChIKey is KIQQNOVOXIJOFE-UHFFFAOYSA-F. The full InChI is InChI=1S/C27H39N2.2C21H27N2.C21H25N2.8C18H33P.C11H14O.5C7H6.2C5H8.4CH3.16ClH.8Ru/c1-18(2)22-11-9-12-23(19(3)4)26(22)28-15-16-29(17-28)27-24(20(5)6)13-10-14-25(27)21(7)8;3*1-14-9-16(3)20(17(4)10-14)22-7-8-23(13-22)21-18(5)11-15(2)12-19(21)6;8*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-9(2)12(4)11-8-6-5-7-10(11)3;5*1-7-5-3-2-4-6-7;2*1-4-5(2)3;;;;;;;;;;;;;;;;;;;;;;;;;;;;/h9-14,17-21H,15-16H2,1-8H3;2*9-13H,7-8H2,1-6H3;7-13H,1-6H3;8*16-18H,1-15H2;3,5-9H,4H2,1-2H3;5*1-6H;2*1,4H,2-3H3;4*1H3;16*1H;;;;;;;;/q4*-1;;;;;;;;;;;;;;;;;2*-1;2*+1;;;;;;;;;;;;;;;;;8*+2/p-8.
What are the key properties of pentakis(benzylidene(dichloro)ruthenium);1,3-bis[2,6-di(propan-2-yl)phenyl]imidazolidin-2-ide;1,3-bis(2,4,6-trimethylphenyl)-2H-imidazol-2-ide;bis(1,3-bis(2,4,6-trimethylphenyl)imidazolidin-2-ide);carbanide;carbanylium;dichloro-[[2-[methanidyl(propan-2-yl)oxonio]phenyl]methylidene]ruthenium;bis(dichloro(3-methylbut-2-enylidene)ruthenium);octakis(tricyclohexylphosphanium)?
pentakis(benzylidene(dichloro)ruthenium);1,3-bis[2,6-di(propan-2-yl)phenyl]imidazolidin-2-ide;1,3-bis(2,4,6-trimethylphenyl)-2H-imidazol-2-ide;bis(1,3-bis(2,4,6-trimethylphenyl)imidazolidin-2-ide);carbanide;carbanylium;dichloro-[[2-[methanidyl(propan-2-yl)oxonio]phenyl]methylidene]ruthenium;bis(dichloro(3-methylbut-2-enylidene)ruthenium);octakis(tricyclohexylphosphanium) has a molecular weight of 5748.59 g/mol, XLogP of 97.84, 46 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for pentakis(benzylidene(dichloro)ruthenium);1,3-bis[2,6-di(propan-2-yl)phenyl]imidazolidin-2-ide;1,3-bis(2,4,6-trimethylphenyl)-2H-imidazol-2-ide;bis(1,3-bis(2,4,6-trimethylphenyl)imidazolidin-2-ide);carbanide;carbanylium;dichloro-[[2-[methanidyl(propan-2-yl)oxonio]phenyl]methylidene]ruthenium;bis(dichloro(3-methylbut-2-enylidene)ruthenium);octakis(tricyclohexylphosphanium) is sourced from PubChem (CID 158920020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).