dipotassium;tetrakis(benzylidene(dichloro)ruthenium);carbanide;tetrakis(1-(4-methoxy-2,6-dimethylphenyl)-3-(2,4,6-trimethylphenyl)-2H-imidazol-2-ide);bis(1-(4-methoxy-2,6-dimethylphenyl)-3-(2,4,6-trimethylphenyl)imidazol-3-ium);bis(2-methylpropan-2-olate);tris(tricyclohexylphosphanium);dichloride

C218H300Cl10K2N12O8P3Ru4-3 — CID 161128119

IUPACdipotassium;tetrakis(benzylidene(dichloro)ruthenium);carbanide;tetrakis(1-(4-methoxy-2,6-dimethylphenyl)-3-(2,4,6-trimethylphenyl)-2H-imidazol-2-ide);bis(1-(4-methoxy-2,6-dimethylphenyl)-3-(2,4,6-trimethylphenyl)imidazol-3-ium);bis(2-methylpropan-2-olate);tris(tricyclohexylphosphanium);dichloride
SMILESC1CCC([PH+](C2CCCCC2)C2CCCCC2)CC1.C1CCC([PH+](C2CCCCC2)C2CCCCC2)CC1.C1CCC([PH+](C2CCCCC2)C2CCCCC2)CC1.CC(C)(C)[O-].CC(C)(C)[O-].COc1cc(C)c(-n2cc[n+](-c3c(C)cc(C)cc3C)c2)c(C)c1.COc1cc(C)c(-n2cc[n+](-c3c(C)cc(C)cc3C)c2)c(C)c1.COc1cc(C)c(N2C=CN(c3c(C)cc(C)cc3C)[CH-]2)c(C)c1.COc1cc(C)c(N2C=CN(c3c(C)cc(C)cc3C)[CH-]2)c(C)c1.COc1cc(C)c(N2C=CN(c3c(C)cc(C)cc3C)[CH-]2)c(C)c1.COc1cc(C)c(N2C=CN(c3c(C)cc(C)cc3C)[CH-]2)c(C)c1.Cl[Ru](Cl)=Cc1ccccc1.Cl[Ru](Cl)=Cc1ccccc1.Cl[Ru](Cl)=Cc1ccccc1.Cl[Ru](Cl)=Cc1ccccc1.[CH3-].[CH3-].[Cl-].[Cl-].[K+].[K+]
InChIInChI=1S/6C21H25N2O.3C18H33P.4C7H6.2C4H9O.2CH3.10ClH.2K.4Ru/c6*1-14-9-15(2)20(16(3)10-14)22-7-8-23(13-22)21-17(4)11-19(24-6)12-18(21)5;3*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;4*1-7-5-3-2-4-6-7;2*1-4(2,3)5;;;;;;;;;;;;;;;;;;/h6*7-13H,1-6H3;3*16-18H,1-15H2;4*1-6H;2*1-3H3;2*1H3;10*1H;;;;;;/q4*-1;2*+1;;;;;;;;4*-1;;;;;;;;;;;2*+1;4*+2/p-7
InChIKeyPTYJZYZCCKJEET-UHFFFAOYSA-G
MW4146.80 g/mol
LogP48.08
Rot. Bonds31

About dipotassium;tetrakis(benzylidene(dichloro)ruthenium);carbanide;tetrakis(1-(4-methoxy-2,6-dimethylphenyl)-3-(2,4,6-trimethylphenyl)-2H-imidazol-2-ide);bis(1-(4-methoxy-2,6-dimethylphenyl)-3-(2,4,6-trimethylphenyl)imidazol-3-ium);bis(2-methylpropan-2-olate);tris(tricyclohexylphosphanium);dichloride

dipotassium;tetrakis(benzylidene(dichloro)ruthenium);carbanide;tetrakis(1-(4-methoxy-2,6-dimethylphenyl)-3-(2,4,6-trimethylphenyl)-2H-imidazol-2-ide);bis(1-(4-methoxy-2,6-dimethylphenyl)-3-(2,4,6-trimethylphenyl)imidazol-3-ium);bis(2-methylpropan-2-olate);tris(tricyclohexylphosphanium);dichloride (PubChem CID 161128119) has the molecular formula C218H300Cl10K2N12O8P3Ru4-3 and a molecular weight of 4146.80 g/mol. Its IUPAC name is dipotassium;tetrakis(benzylidene(dichloro)ruthenium);carbanide;tetrakis(1-(4-methoxy-2,6-dimethylphenyl)-3-(2,4,6-trimethylphenyl)-2H-imidazol-2-ide);bis(1-(4-methoxy-2,6-dimethylphenyl)-3-(2,4,6-trimethylphenyl)imidazol-3-ium);bis(2-methylpropan-2-olate);tris(tricyclohexylphosphanium);dichloride.

Molecular Properties

Compound Namedipotassium;tetrakis(benzylidene(dichloro)ruthenium);carbanide;tetrakis(1-(4-methoxy-2,6-dimethylphenyl)-3-(2,4,6-trimethylphenyl)-2H-imidazol-2-ide);bis(1-(4-methoxy-2,6-dimethylphenyl)-3-(2,4,6-trimethylphenyl)imidazol-3-ium);bis(2-methylpropan-2-olate);tris(tricyclohexylphosphanium);dichloride
PubChem CID161128119
Molecular FormulaC218H300Cl10K2N12O8P3Ru4-3
Molecular Weight4146.80 g/mol
Exact Mass4142.50
IUPAC Namedipotassium;tetrakis(benzylidene(dichloro)ruthenium);carbanide;tetrakis(1-(4-methoxy-2,6-dimethylphenyl)-3-(2,4,6-trimethylphenyl)-2H-imidazol-2-ide);bis(1-(4-methoxy-2,6-dimethylphenyl)-3-(2,4,6-trimethylphenyl)imidazol-3-ium);bis(2-methylpropan-2-olate);tris(tricyclohexylphosphanium);dichloride
SMILESC1CCC([PH+](C2CCCCC2)C2CCCCC2)CC1.C1CCC([PH+](C2CCCCC2)C2CCCCC2)CC1.C1CCC([PH+](C2CCCCC2)C2CCCCC2)CC1.CC(C)(C)[O-].CC(C)(C)[O-].COc1cc(C)c(-n2cc[n+](-c3c(C)cc(C)cc3C)c2)c(C)c1.COc1cc(C)c(-n2cc[n+](-c3c(C)cc(C)cc3C)c2)c(C)c1.COc1cc(C)c(N2C=CN(c3c(C)cc(C)cc3C)[CH-]2)c(C)c1.COc1cc(C)c(N2C=CN(c3c(C)cc(C)cc3C)[CH-]2)c(C)c1.COc1cc(C)c(N2C=CN(c3c(C)cc(C)cc3C)[CH-]2)c(C)c1.COc1cc(C)c(N2C=CN(c3c(C)cc(C)cc3C)[CH-]2)c(C)c1.Cl[Ru](Cl)=Cc1ccccc1.Cl[Ru](Cl)=Cc1ccccc1.Cl[Ru](Cl)=Cc1ccccc1.Cl[Ru](Cl)=Cc1ccccc1.[CH3-].[CH3-].[Cl-].[Cl-].[K+].[K+]
InChIInChI=1S/6C21H25N2O.3C18H33P.4C7H6.2C4H9O.2CH3.10ClH.2K.4Ru/c6*1-14-9-15(2)20(16(3)10-14)22-7-8-23(13-22)21-17(4)11-19(24-6)12-18(21)5;3*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;4*1-7-5-3-2-4-6-7;2*1-4(2,3)5;;;;;;;;;;;;;;;;;;/h6*7-13H,1-6H3;3*16-18H,1-15H2;4*1-6H;2*1-3H3;2*1H3;10*1H;;;;;;/q4*-1;2*+1;;;;;;;;4*-1;;;;;;;;;;;2*+1;4*+2/p-7
InChIKeyPTYJZYZCCKJEET-UHFFFAOYSA-G
XLogP48.08
TPSA145.04 Ų
H-Bond Donors
H-Bond Acceptors18
Rotatable Bonds31
Heavy Atoms257
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5004146.80
LogP ≤ 548.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1018

Analyze dipotassium;tetrakis(benzylidene(dichloro)ruthenium);carbanide;tetrakis(1-(4-methoxy-2,6-dimethylphenyl)-3-(2,4,6-trimethylphenyl)-2H-imidazol-2-ide);bis(1-(4-methoxy-2,6-dimethylphenyl)-3-(2,4,6-trimethylphenyl)imidazol-3-ium);bis(2-methylpropan-2-olate);tris(tricyclohexylphosphanium);dichloride with MolForge

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Related Compounds

benzylidene(dichloro)ruthenium;bis(1,3-bis(4-methoxy-2,6-dimethylphenyl)-2H-imidazol-2-ide)
CID 153475090
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
benzylidene(dichloro)ruthenium;1,3-bis(2,4,6-trimethylphenyl)imidazolidin-2-ide;methane;tricyclohexylphosphanium
CID 161205755
benzylidene(dichloro)ruthenium;2-methanidyl-1,3-bis(2,4,6-trimethylphenyl)imidazolidine;tricyclohexylphosphanium
CID 59130198
benzylidene(dichloro)ruthenium;2,5-bis(2,4,6-trimethylphenyl)pyrrolidin-1-ide;tricyclohexylphosphanium
CID 59656595
benzylidene-[1,3-bis(2,4,6-trimethylphenyl)imidazolidin-2-ylidene]-dichlororuthenium;benzylidene(dichloro)ruthenium;tris(tricyclohexylphosphanium)
CID 162127718
benzylidene(dichloro)ruthenium;carbanide;tricyclohexylphosphanium
CID 22899065
benzylidene(dichloro)ruthenium;1,3-bis(2,4,6-trimethylphenyl)-3a,4,5,6,7,7a-hexahydro-2H-benzimidazol-2-ide;carbanide
CID 21029728
1,3-bis(2,4,6-trimethylphenyl)-2H-imidazol-2-ide;dichloro-[(2-oxopyrrolidin-1-yl)methylidene]ruthenium;tricyclohexylphosphanium
CID 140713470
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;bis(1,3-bis(2,4,6-trimethylphenyl)imidazolidin-2-ide);chlorocopper;dichloro-[(N-methylsulfonylanilino)methylidene]ruthenium;N-ethenyl-N-phenylmethanesulfonamide;tricyclohexylphosphanium
CID 160794284
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

Frequently Asked Questions

What is the IUPAC name of dipotassium;tetrakis(benzylidene(dichloro)ruthenium);carbanide;tetrakis(1-(4-methoxy-2,6-dimethylphenyl)-3-(2,4,6-trimethylphenyl)-2H-imidazol-2-ide);bis(1-(4-methoxy-2,6-dimethylphenyl)-3-(2,4,6-trimethylphenyl)imidazol-3-ium);bis(2-methylpropan-2-olate);tris(tricyclohexylphosphanium);dichloride?
The IUPAC name of dipotassium;tetrakis(benzylidene(dichloro)ruthenium);carbanide;tetrakis(1-(4-methoxy-2,6-dimethylphenyl)-3-(2,4,6-trimethylphenyl)-2H-imidazol-2-ide);bis(1-(4-methoxy-2,6-dimethylphenyl)-3-(2,4,6-trimethylphenyl)imidazol-3-ium);bis(2-methylpropan-2-olate);tris(tricyclohexylphosphanium);dichloride (CID 161128119) is dipotassium;tetrakis(benzylidene(dichloro)ruthenium);carbanide;tetrakis(1-(4-methoxy-2,6-dimethylphenyl)-3-(2,4,6-trimethylphenyl)-2H-imidazol-2-ide);bis(1-(4-methoxy-2,6-dimethylphenyl)-3-(2,4,6-trimethylphenyl)imidazol-3-ium);bis(2-methylpropan-2-olate);tris(tricyclohexylphosphanium);dichloride.
What is the SMILES notation for dipotassium;tetrakis(benzylidene(dichloro)ruthenium);carbanide;tetrakis(1-(4-methoxy-2,6-dimethylphenyl)-3-(2,4,6-trimethylphenyl)-2H-imidazol-2-ide);bis(1-(4-methoxy-2,6-dimethylphenyl)-3-(2,4,6-trimethylphenyl)imidazol-3-ium);bis(2-methylpropan-2-olate);tris(tricyclohexylphosphanium);dichloride?
The canonical SMILES for dipotassium;tetrakis(benzylidene(dichloro)ruthenium);carbanide;tetrakis(1-(4-methoxy-2,6-dimethylphenyl)-3-(2,4,6-trimethylphenyl)-2H-imidazol-2-ide);bis(1-(4-methoxy-2,6-dimethylphenyl)-3-(2,4,6-trimethylphenyl)imidazol-3-ium);bis(2-methylpropan-2-olate);tris(tricyclohexylphosphanium);dichloride is C1CCC([PH+](C2CCCCC2)C2CCCCC2)CC1.C1CCC([PH+](C2CCCCC2)C2CCCCC2)CC1.C1CCC([PH+](C2CCCCC2)C2CCCCC2)CC1.CC(C)(C)[O-].CC(C)(C)[O-].COc1cc(C)c(-n2cc[n+](-c3c(C)cc(C)cc3C)c2)c(C)c1.COc1cc(C)c(-n2cc[n+](-c3c(C)cc(C)cc3C)c2)c(C)c1.COc1cc(C)c(N2C=CN(c3c(C)cc(C)cc3C)[CH-]2)c(C)c1.COc1cc(C)c(N2C=CN(c3c(C)cc(C)cc3C)[CH-]2)c(C)c1.COc1cc(C)c(N2C=CN(c3c(C)cc(C)cc3C)[CH-]2)c(C)c1.COc1cc(C)c(N2C=CN(c3c(C)cc(C)cc3C)[CH-]2)c(C)c1.Cl[Ru](Cl)=Cc1ccccc1.Cl[Ru](Cl)=Cc1ccccc1.Cl[Ru](Cl)=Cc1ccccc1.Cl[Ru](Cl)=Cc1ccccc1.[CH3-].[CH3-].[Cl-].[Cl-].[K+].[K+].
What is the InChIKey of dipotassium;tetrakis(benzylidene(dichloro)ruthenium);carbanide;tetrakis(1-(4-methoxy-2,6-dimethylphenyl)-3-(2,4,6-trimethylphenyl)-2H-imidazol-2-ide);bis(1-(4-methoxy-2,6-dimethylphenyl)-3-(2,4,6-trimethylphenyl)imidazol-3-ium);bis(2-methylpropan-2-olate);tris(tricyclohexylphosphanium);dichloride?
The InChIKey is PTYJZYZCCKJEET-UHFFFAOYSA-G. The full InChI is InChI=1S/6C21H25N2O.3C18H33P.4C7H6.2C4H9O.2CH3.10ClH.2K.4Ru/c6*1-14-9-15(2)20(16(3)10-14)22-7-8-23(13-22)21-17(4)11-19(24-6)12-18(21)5;3*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;4*1-7-5-3-2-4-6-7;2*1-4(2,3)5;;;;;;;;;;;;;;;;;;/h6*7-13H,1-6H3;3*16-18H,1-15H2;4*1-6H;2*1-3H3;2*1H3;10*1H;;;;;;/q4*-1;2*+1;;;;;;;;4*-1;;;;;;;;;;;2*+1;4*+2/p-7.
What are the key properties of dipotassium;tetrakis(benzylidene(dichloro)ruthenium);carbanide;tetrakis(1-(4-methoxy-2,6-dimethylphenyl)-3-(2,4,6-trimethylphenyl)-2H-imidazol-2-ide);bis(1-(4-methoxy-2,6-dimethylphenyl)-3-(2,4,6-trimethylphenyl)imidazol-3-ium);bis(2-methylpropan-2-olate);tris(tricyclohexylphosphanium);dichloride?
dipotassium;tetrakis(benzylidene(dichloro)ruthenium);carbanide;tetrakis(1-(4-methoxy-2,6-dimethylphenyl)-3-(2,4,6-trimethylphenyl)-2H-imidazol-2-ide);bis(1-(4-methoxy-2,6-dimethylphenyl)-3-(2,4,6-trimethylphenyl)imidazol-3-ium);bis(2-methylpropan-2-olate);tris(tricyclohexylphosphanium);dichloride has a molecular weight of 4146.80 g/mol, XLogP of 48.08, 31 rotatable bonds, 0 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for dipotassium;tetrakis(benzylidene(dichloro)ruthenium);carbanide;tetrakis(1-(4-methoxy-2,6-dimethylphenyl)-3-(2,4,6-trimethylphenyl)-2H-imidazol-2-ide);bis(1-(4-methoxy-2,6-dimethylphenyl)-3-(2,4,6-trimethylphenyl)imidazol-3-ium);bis(2-methylpropan-2-olate);tris(tricyclohexylphosphanium);dichloride is sourced from PubChem (CID 161128119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).