bis(dichloro-(3-phenylinden-1-ylidene)ruthenium);dichlororuthenium;1,1-diphenylprop-2-yn-1-ol;bis(tricyclohexylphosphanium);tris(triphenylphosphane);bis(triphenylphosphanium)

C171H177Cl6OP7Ru3+4 — CID 161313465

IUPACbis(dichloro-(3-phenylinden-1-ylidene)ruthenium);dichlororuthenium;1,1-diphenylprop-2-yn-1-ol;bis(tricyclohexylphosphanium);tris(triphenylphosphane);bis(triphenylphosphanium)
SMILESC#CC(O)(c1ccccc1)c1ccccc1.C1CCC([PH+](C2CCCCC2)C2CCCCC2)CC1.C1CCC([PH+](C2CCCCC2)C2CCCCC2)CC1.Cl[Ru](Cl)=C1C=C(c2ccccc2)c2ccccc21.Cl[Ru](Cl)=C1C=C(c2ccccc2)c2ccccc21.Cl[Ru]Cl.c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc([PH+](c2ccccc2)c2ccccc2)cc1.c1ccc([PH+](c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/2C18H33P.5C18H15P.C15H12O.2C15H10.6ClH.3Ru/c7*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-2-15(16,13-9-5-3-6-10-13)14-11-7-4-8-12-14;2*1-2-6-12(7-3-1)15-11-10-13-8-4-5-9-14(13)15;;;;;;;;;/h2*16-18H,1-15H2;5*1-15H;1,3-12,16H;2*1-9,11H;6*1H;;;/q;;;;;;;;;;;;;;;;3*+2/p-2
InChIKeyQBOOATCVKRNZBW-UHFFFAOYSA-L
MW2981.04 g/mol
LogP42.17
Rot. Bonds25

About bis(dichloro-(3-phenylinden-1-ylidene)ruthenium);dichlororuthenium;1,1-diphenylprop-2-yn-1-ol;bis(tricyclohexylphosphanium);tris(triphenylphosphane);bis(triphenylphosphanium)

bis(dichloro-(3-phenylinden-1-ylidene)ruthenium);dichlororuthenium;1,1-diphenylprop-2-yn-1-ol;bis(tricyclohexylphosphanium);tris(triphenylphosphane);bis(triphenylphosphanium) (PubChem CID 161313465) has the molecular formula C171H177Cl6OP7Ru3+4 and a molecular weight of 2981.04 g/mol. Its IUPAC name is bis(dichloro-(3-phenylinden-1-ylidene)ruthenium);dichlororuthenium;1,1-diphenylprop-2-yn-1-ol;bis(tricyclohexylphosphanium);tris(triphenylphosphane);bis(triphenylphosphanium).

Molecular Properties

Compound Namebis(dichloro-(3-phenylinden-1-ylidene)ruthenium);dichlororuthenium;1,1-diphenylprop-2-yn-1-ol;bis(tricyclohexylphosphanium);tris(triphenylphosphane);bis(triphenylphosphanium)
PubChem CID161313465
Molecular FormulaC171H177Cl6OP7Ru3+4
Molecular Weight2981.04 g/mol
Exact Mass2978.72
IUPAC Namebis(dichloro-(3-phenylinden-1-ylidene)ruthenium);dichlororuthenium;1,1-diphenylprop-2-yn-1-ol;bis(tricyclohexylphosphanium);tris(triphenylphosphane);bis(triphenylphosphanium)
SMILESC#CC(O)(c1ccccc1)c1ccccc1.C1CCC([PH+](C2CCCCC2)C2CCCCC2)CC1.C1CCC([PH+](C2CCCCC2)C2CCCCC2)CC1.Cl[Ru](Cl)=C1C=C(c2ccccc2)c2ccccc21.Cl[Ru](Cl)=C1C=C(c2ccccc2)c2ccccc21.Cl[Ru]Cl.c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc([PH+](c2ccccc2)c2ccccc2)cc1.c1ccc([PH+](c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/2C18H33P.5C18H15P.C15H12O.2C15H10.6ClH.3Ru/c7*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-2-15(16,13-9-5-3-6-10-13)14-11-7-4-8-12-14;2*1-2-6-12(7-3-1)15-11-10-13-8-4-5-9-14(13)15;;;;;;;;;/h2*16-18H,1-15H2;5*1-15H;1,3-12,16H;2*1-9,11H;6*1H;;;/q;;;;;;;;;;;;;;;;3*+2/p-2
InChIKeyQBOOATCVKRNZBW-UHFFFAOYSA-L
XLogP42.17
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds25
Heavy Atoms188
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002981.04
LogP ≤ 542.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1,3-bis(2,4,6-trimethylphenyl)imidazolidin-2-ide;dichloro-(3-phenylinden-1-ylidene)ruthenium;triphenylphosphane
CID 11158877
CID 139241153
CID 139241153
CID 158650263
CID 158650263
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
1,3-bis(2,4,6-trimethylphenyl)imidazolidin-2-ide;chloro-(3-phenylinden-1-ylidene)ruthenium;tricyclohexylphosphanium
CID 58568259
1-(2,3,4,5,6-pentakis-phenylphenyl)-1-phenylprop-2-yn-1-ol
CID 164675344
dichloro(phenylselanylmethylidene)ruthenium;bis(tricyclohexylphosphanium)
CID 134975143
tris(benzylidene(dichloro)ruthenium);dichloro(3,3-diphenylpropa-1,2-dienylidene)ruthenium;dichloro-(3-phenylinden-1-ylidene)ruthenium;dichloro-[(E)-3-phenylprop-2-enylidene]ruthenium;dicyclohexyl-[4-[4-(4-dicyclohexylphosphaniumylphenyl)pentan-2-yl]phenyl]phosphanium;bis(dicyclohexyl(trimethylsilylmethyl)phosphanium);2-diphenylphosphaniumylethyl(diphenyl)phosphanium;[2-(2-diphenylphosphaniumylnaphthalen-1-yl)phenyl]-diphenylphosphanium;tetrakis(tricyclohexylphosphanium)
CID 159989206
benzylidene(dichloro)ruthenium;carbanide;tricyclohexylphosphanium
CID 22899065
CID 24746372
CID 24746372
acetonitrile;1,3-bis(2,4,6-trimethylphenyl)imidazolidin-2-ide;dichloro-(3-phenylinden-1-ylidene)ruthenium
CID 154612121
dichloro(2-phenylethylidene)ruthenium;tricyclohexylphosphanium
CID 87671530

Frequently Asked Questions

What is the IUPAC name of bis(dichloro-(3-phenylinden-1-ylidene)ruthenium);dichlororuthenium;1,1-diphenylprop-2-yn-1-ol;bis(tricyclohexylphosphanium);tris(triphenylphosphane);bis(triphenylphosphanium)?
The IUPAC name of bis(dichloro-(3-phenylinden-1-ylidene)ruthenium);dichlororuthenium;1,1-diphenylprop-2-yn-1-ol;bis(tricyclohexylphosphanium);tris(triphenylphosphane);bis(triphenylphosphanium) (CID 161313465) is bis(dichloro-(3-phenylinden-1-ylidene)ruthenium);dichlororuthenium;1,1-diphenylprop-2-yn-1-ol;bis(tricyclohexylphosphanium);tris(triphenylphosphane);bis(triphenylphosphanium).
What is the SMILES notation for bis(dichloro-(3-phenylinden-1-ylidene)ruthenium);dichlororuthenium;1,1-diphenylprop-2-yn-1-ol;bis(tricyclohexylphosphanium);tris(triphenylphosphane);bis(triphenylphosphanium)?
The canonical SMILES for bis(dichloro-(3-phenylinden-1-ylidene)ruthenium);dichlororuthenium;1,1-diphenylprop-2-yn-1-ol;bis(tricyclohexylphosphanium);tris(triphenylphosphane);bis(triphenylphosphanium) is C#CC(O)(c1ccccc1)c1ccccc1.C1CCC([PH+](C2CCCCC2)C2CCCCC2)CC1.C1CCC([PH+](C2CCCCC2)C2CCCCC2)CC1.Cl[Ru](Cl)=C1C=C(c2ccccc2)c2ccccc21.Cl[Ru](Cl)=C1C=C(c2ccccc2)c2ccccc21.Cl[Ru]Cl.c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc([PH+](c2ccccc2)c2ccccc2)cc1.c1ccc([PH+](c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of bis(dichloro-(3-phenylinden-1-ylidene)ruthenium);dichlororuthenium;1,1-diphenylprop-2-yn-1-ol;bis(tricyclohexylphosphanium);tris(triphenylphosphane);bis(triphenylphosphanium)?
The InChIKey is QBOOATCVKRNZBW-UHFFFAOYSA-L. The full InChI is InChI=1S/2C18H33P.5C18H15P.C15H12O.2C15H10.6ClH.3Ru/c7*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-2-15(16,13-9-5-3-6-10-13)14-11-7-4-8-12-14;2*1-2-6-12(7-3-1)15-11-10-13-8-4-5-9-14(13)15;;;;;;;;;/h2*16-18H,1-15H2;5*1-15H;1,3-12,16H;2*1-9,11H;6*1H;;;/q;;;;;;;;;;;;;;;;3*+2/p-2.
What are the key properties of bis(dichloro-(3-phenylinden-1-ylidene)ruthenium);dichlororuthenium;1,1-diphenylprop-2-yn-1-ol;bis(tricyclohexylphosphanium);tris(triphenylphosphane);bis(triphenylphosphanium)?
bis(dichloro-(3-phenylinden-1-ylidene)ruthenium);dichlororuthenium;1,1-diphenylprop-2-yn-1-ol;bis(tricyclohexylphosphanium);tris(triphenylphosphane);bis(triphenylphosphanium) has a molecular weight of 2981.04 g/mol, XLogP of 42.17, 25 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for bis(dichloro-(3-phenylinden-1-ylidene)ruthenium);dichlororuthenium;1,1-diphenylprop-2-yn-1-ol;bis(tricyclohexylphosphanium);tris(triphenylphosphane);bis(triphenylphosphanium) is sourced from PubChem (CID 161313465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).