benzylidene(dichloro)ruthenium;bis(dicyclohexyl-(1,1-dimethylpiperidin-1-ium-4-yl)phosphanium)

C45H82Cl2N2P2Ru+4 — CID 20682587

IUPACbenzylidene(dichloro)ruthenium;bis(dicyclohexyl-(1,1-dimethylpiperidin-1-ium-4-yl)phosphanium)
SMILESC[N+]1(C)CCC([PH+](C2CCCCC2)C2CCCCC2)CC1.C[N+]1(C)CCC([PH+](C2CCCCC2)C2CCCCC2)CC1.Cl[Ru](Cl)=Cc1ccccc1
InChIInChI=1S/2C19H37NP.C7H6.2ClH.Ru/c2*1-20(2)15-13-19(14-16-20)21(17-9-5-3-6-10-17)18-11-7-4-8-12-18;1-7-5-3-2-4-6-7;;;/h2*17-19H,3-16H2,1-2H3;1-6H;2*1H;/q2*+1;;;;+2
InChIKeyLQNXHEZEASWRAM-UHFFFAOYSA-N
MW885.09 g/mol
LogP12.97
Rot. Bonds7

About benzylidene(dichloro)ruthenium;bis(dicyclohexyl-(1,1-dimethylpiperidin-1-ium-4-yl)phosphanium)

benzylidene(dichloro)ruthenium;bis(dicyclohexyl-(1,1-dimethylpiperidin-1-ium-4-yl)phosphanium) (PubChem CID 20682587) has the molecular formula C45H82Cl2N2P2Ru+4 and a molecular weight of 885.09 g/mol. Its IUPAC name is benzylidene(dichloro)ruthenium;bis(dicyclohexyl-(1,1-dimethylpiperidin-1-ium-4-yl)phosphanium).

Molecular Properties

Compound Namebenzylidene(dichloro)ruthenium;bis(dicyclohexyl-(1,1-dimethylpiperidin-1-ium-4-yl)phosphanium)
PubChem CID20682587
Molecular FormulaC45H82Cl2N2P2Ru+4
Molecular Weight885.09 g/mol
Exact Mass884.44
IUPAC Namebenzylidene(dichloro)ruthenium;bis(dicyclohexyl-(1,1-dimethylpiperidin-1-ium-4-yl)phosphanium)
SMILESC[N+]1(C)CCC([PH+](C2CCCCC2)C2CCCCC2)CC1.C[N+]1(C)CCC([PH+](C2CCCCC2)C2CCCCC2)CC1.Cl[Ru](Cl)=Cc1ccccc1
InChIInChI=1S/2C19H37NP.C7H6.2ClH.Ru/c2*1-20(2)15-13-19(14-16-20)21(17-9-5-3-6-10-17)18-11-7-4-8-12-18;1-7-5-3-2-4-6-7;;;/h2*17-19H,3-16H2,1-2H3;1-6H;2*1H;/q2*+1;;;;+2
InChIKeyLQNXHEZEASWRAM-UHFFFAOYSA-N
XLogP12.97
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500885.09
LogP ≤ 512.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Related Compounds

benzylidene(dichloro)ruthenium;carbanide;tricyclohexylphosphanium
CID 22899065
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
benzylidene-[1,3-bis(2,4,6-trimethylphenyl)imidazolidin-2-ylidene]-dichlororuthenium;benzylidene(dichloro)ruthenium;tris(tricyclohexylphosphanium)
CID 162127718
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dichloro(phenylselanylmethylidene)ruthenium;bis(tricyclohexylphosphanium)
CID 134975143
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
[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
bis(benzylidene(dichloro)ruthenium);bis(dicyclohexyl(morpholin-4-yl)phosphanium);methane;4-methylmorpholine;oxolane;bis(triphenylphosphanium)
CID 158563190

Frequently Asked Questions

What is the IUPAC name of benzylidene(dichloro)ruthenium;bis(dicyclohexyl-(1,1-dimethylpiperidin-1-ium-4-yl)phosphanium)?
The IUPAC name of benzylidene(dichloro)ruthenium;bis(dicyclohexyl-(1,1-dimethylpiperidin-1-ium-4-yl)phosphanium) (CID 20682587) is benzylidene(dichloro)ruthenium;bis(dicyclohexyl-(1,1-dimethylpiperidin-1-ium-4-yl)phosphanium).
What is the SMILES notation for benzylidene(dichloro)ruthenium;bis(dicyclohexyl-(1,1-dimethylpiperidin-1-ium-4-yl)phosphanium)?
The canonical SMILES for benzylidene(dichloro)ruthenium;bis(dicyclohexyl-(1,1-dimethylpiperidin-1-ium-4-yl)phosphanium) is C[N+]1(C)CCC([PH+](C2CCCCC2)C2CCCCC2)CC1.C[N+]1(C)CCC([PH+](C2CCCCC2)C2CCCCC2)CC1.Cl[Ru](Cl)=Cc1ccccc1.
What is the InChIKey of benzylidene(dichloro)ruthenium;bis(dicyclohexyl-(1,1-dimethylpiperidin-1-ium-4-yl)phosphanium)?
The InChIKey is LQNXHEZEASWRAM-UHFFFAOYSA-N. The full InChI is InChI=1S/2C19H37NP.C7H6.2ClH.Ru/c2*1-20(2)15-13-19(14-16-20)21(17-9-5-3-6-10-17)18-11-7-4-8-12-18;1-7-5-3-2-4-6-7;;;/h2*17-19H,3-16H2,1-2H3;1-6H;2*1H;/q2*+1;;;;+2.
What are the key properties of benzylidene(dichloro)ruthenium;bis(dicyclohexyl-(1,1-dimethylpiperidin-1-ium-4-yl)phosphanium)?
benzylidene(dichloro)ruthenium;bis(dicyclohexyl-(1,1-dimethylpiperidin-1-ium-4-yl)phosphanium) has a molecular weight of 885.09 g/mol, XLogP of 12.97, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for benzylidene(dichloro)ruthenium;bis(dicyclohexyl-(1,1-dimethylpiperidin-1-ium-4-yl)phosphanium) is sourced from PubChem (CID 20682587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).