dichloro(2-phenylethylidene)ruthenium;tricyclohexylphosphanium

C26H42Cl2PRu+ — CID 87671530

IUPACdichloro(2-phenylethylidene)ruthenium;tricyclohexylphosphanium
SMILESC1CCC([PH+](C2CCCCC2)C2CCCCC2)CC1.Cl[Ru](Cl)=CCc1ccccc1
InChIInChI=1S/C18H33P.C8H8.2ClH.Ru/c1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-2-8-6-4-3-5-7-8;;;/h16-18H,1-15H2;1,3-7H,2H2;2*1H;/q;;;;+2/p-1
InChIKeyZCBDZTFWJGPPIE-UHFFFAOYSA-M
MW557.57 g/mol
LogP9.16
Rot. Bonds5

About dichloro(2-phenylethylidene)ruthenium;tricyclohexylphosphanium

dichloro(2-phenylethylidene)ruthenium;tricyclohexylphosphanium (PubChem CID 87671530) has the molecular formula C26H42Cl2PRu+ and a molecular weight of 557.57 g/mol. Its IUPAC name is dichloro(2-phenylethylidene)ruthenium;tricyclohexylphosphanium.

Molecular Properties

Compound Namedichloro(2-phenylethylidene)ruthenium;tricyclohexylphosphanium
PubChem CID87671530
Molecular FormulaC26H42Cl2PRu+
Molecular Weight557.57 g/mol
Exact Mass557.14
IUPAC Namedichloro(2-phenylethylidene)ruthenium;tricyclohexylphosphanium
SMILESC1CCC([PH+](C2CCCCC2)C2CCCCC2)CC1.Cl[Ru](Cl)=CCc1ccccc1
InChIInChI=1S/C18H33P.C8H8.2ClH.Ru/c1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-2-8-6-4-3-5-7-8;;;/h16-18H,1-15H2;1,3-7H,2H2;2*1H;/q;;;;+2/p-1
InChIKeyZCBDZTFWJGPPIE-UHFFFAOYSA-M
XLogP9.16
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500557.57
LogP ≤ 59.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

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[2-[[benzyl(methyl)amino]methyl]phenyl]methylidene-dichlororuthenium;tricyclohexylphosphanium
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benzylidene(dichloro)ruthenium;bis(dicyclohexyl-(1,1-dimethylpiperidin-1-ium-4-yl)phosphanium)
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dichloro(methylidene)ruthenium;bis(tricyclohexylphosphanium)
CID 23520456
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carbanide;chloro-[(2-hydroxyphenyl)methylidene]ruthenium;tricyclohexylphosphanium
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(R)-benzyl-cyclohexyl-methylphosphane
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CID 76540697

Frequently Asked Questions

What is the IUPAC name of dichloro(2-phenylethylidene)ruthenium;tricyclohexylphosphanium?
The IUPAC name of dichloro(2-phenylethylidene)ruthenium;tricyclohexylphosphanium (CID 87671530) is dichloro(2-phenylethylidene)ruthenium;tricyclohexylphosphanium.
What is the SMILES notation for dichloro(2-phenylethylidene)ruthenium;tricyclohexylphosphanium?
The canonical SMILES for dichloro(2-phenylethylidene)ruthenium;tricyclohexylphosphanium is C1CCC([PH+](C2CCCCC2)C2CCCCC2)CC1.Cl[Ru](Cl)=CCc1ccccc1.
What is the InChIKey of dichloro(2-phenylethylidene)ruthenium;tricyclohexylphosphanium?
The InChIKey is ZCBDZTFWJGPPIE-UHFFFAOYSA-M. The full InChI is InChI=1S/C18H33P.C8H8.2ClH.Ru/c1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-2-8-6-4-3-5-7-8;;;/h16-18H,1-15H2;1,3-7H,2H2;2*1H;/q;;;;+2/p-1.
What are the key properties of dichloro(2-phenylethylidene)ruthenium;tricyclohexylphosphanium?
dichloro(2-phenylethylidene)ruthenium;tricyclohexylphosphanium has a molecular weight of 557.57 g/mol, XLogP of 9.16, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for dichloro(2-phenylethylidene)ruthenium;tricyclohexylphosphanium is sourced from PubChem (CID 87671530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).