benzylidene(dichloro)ruthenium;carbanide;tricyclohexylphosphanium

C26H43Cl2PRu — CID 22899065

IUPACbenzylidene(dichloro)ruthenium;carbanide;tricyclohexylphosphanium
SMILESC1CCC([PH+](C2CCCCC2)C2CCCCC2)CC1.Cl[Ru](Cl)=Cc1ccccc1.[CH3-]
InChIInChI=1S/C18H33P.C7H6.CH3.2ClH.Ru/c1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-7-5-3-2-4-6-7;;;;/h16-18H,1-15H2;1-6H;1H3;2*1H;/q;;-1;;;+2/p-1
InChIKeyREKFQVNJGOAETJ-UHFFFAOYSA-M
MW558.58 g/mol
LogP9.41
Rot. Bonds4

About benzylidene(dichloro)ruthenium;carbanide;tricyclohexylphosphanium

benzylidene(dichloro)ruthenium;carbanide;tricyclohexylphosphanium (PubChem CID 22899065) has the molecular formula C26H43Cl2PRu and a molecular weight of 558.58 g/mol. Its IUPAC name is benzylidene(dichloro)ruthenium;carbanide;tricyclohexylphosphanium.

Molecular Properties

Compound Namebenzylidene(dichloro)ruthenium;carbanide;tricyclohexylphosphanium
PubChem CID22899065
Molecular FormulaC26H43Cl2PRu
Molecular Weight558.58 g/mol
Exact Mass558.15
IUPAC Namebenzylidene(dichloro)ruthenium;carbanide;tricyclohexylphosphanium
SMILESC1CCC([PH+](C2CCCCC2)C2CCCCC2)CC1.Cl[Ru](Cl)=Cc1ccccc1.[CH3-]
InChIInChI=1S/C18H33P.C7H6.CH3.2ClH.Ru/c1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-7-5-3-2-4-6-7;;;;/h16-18H,1-15H2;1-6H;1H3;2*1H;/q;;-1;;;+2/p-1
InChIKeyREKFQVNJGOAETJ-UHFFFAOYSA-M
XLogP9.41
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500558.58
LogP ≤ 59.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

benzylidene(dichloro)ruthenium;bis(dicyclohexyl-(1,1-dimethylpiperidin-1-ium-4-yl)phosphanium)
CID 20682587
benzylidene(dichloro)ruthenium;1,3-dipropylimidazolidin-2-ide;tricyclohexylphosphanium
CID 58905757
benzylidene(dichloro)ruthenium;2,5-bis(2,4,6-trimethylphenyl)pyrrolidin-1-ide;tricyclohexylphosphanium
CID 59656595
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
dichloro(2-phenylethylidene)ruthenium;tricyclohexylphosphanium
CID 87671530
dichloro(phenylselanylmethylidene)ruthenium;bis(tricyclohexylphosphanium)
CID 134975143
benzylidene-[1,3-bis(2,4,6-trimethylphenyl)imidazolidin-2-ylidene]-dichlororuthenium;benzylidene(dichloro)ruthenium;tris(tricyclohexylphosphanium)
CID 162127718
benzylidene(dichloro)ruthenium;4,5-dimethyl-3-[(1R,4S)-2,4,6-trimethylcyclohex-2-en-1-yl]-2H-1,3-thiazol-2-ide;tricyclohexylphosphanium
CID 59364894
benzylidene(dichloro)ruthenium;carbanide;tris(dichloro(3-methylbut-2-enylidene)ruthenium);dichloro(phenylsulfanylmethylidene)ruthenium;dichloro(3-pyridin-2-ylpropylidene)ruthenium;bis(tricyclohexylphosphanium)
CID 162258654
[2-[[benzyl(methyl)amino]methyl]phenyl]methylidene-dichlororuthenium;tricyclohexylphosphanium
CID 162458941
benzylidene(dichloro)ruthenium;1,3-dichloro-2H-imidazol-2-ide;1,3-dicyclohexyl-2H-imidazol-2-ide
CID 58984075

Frequently Asked Questions

What is the IUPAC name of benzylidene(dichloro)ruthenium;carbanide;tricyclohexylphosphanium?
The IUPAC name of benzylidene(dichloro)ruthenium;carbanide;tricyclohexylphosphanium (CID 22899065) is benzylidene(dichloro)ruthenium;carbanide;tricyclohexylphosphanium.
What is the SMILES notation for benzylidene(dichloro)ruthenium;carbanide;tricyclohexylphosphanium?
The canonical SMILES for benzylidene(dichloro)ruthenium;carbanide;tricyclohexylphosphanium is C1CCC([PH+](C2CCCCC2)C2CCCCC2)CC1.Cl[Ru](Cl)=Cc1ccccc1.[CH3-].
What is the InChIKey of benzylidene(dichloro)ruthenium;carbanide;tricyclohexylphosphanium?
The InChIKey is REKFQVNJGOAETJ-UHFFFAOYSA-M. The full InChI is InChI=1S/C18H33P.C7H6.CH3.2ClH.Ru/c1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-7-5-3-2-4-6-7;;;;/h16-18H,1-15H2;1-6H;1H3;2*1H;/q;;-1;;;+2/p-1.
What are the key properties of benzylidene(dichloro)ruthenium;carbanide;tricyclohexylphosphanium?
benzylidene(dichloro)ruthenium;carbanide;tricyclohexylphosphanium has a molecular weight of 558.58 g/mol, XLogP of 9.41, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for benzylidene(dichloro)ruthenium;carbanide;tricyclohexylphosphanium is sourced from PubChem (CID 22899065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).