benzylidene-dicyclohexyl-(4,4-dichlorocyclohexyl)-λ5-phosphane;triiodoruthenium

C25H37Cl2I3PRu — CID 175844699

IUPACbenzylidene-dicyclohexyl-(4,4-dichlorocyclohexyl)-λ5-phosphane;triiodoruthenium
SMILESClC1(Cl)CCC(P(=Cc2ccccc2)(C2CCCCC2)C2CCCCC2)CC1.I[Ru](I)I
InChIInChI=1S/C25H37Cl2P.3HI.Ru/c26-25(27)18-16-24(17-19-25)28(22-12-6-2-7-13-22,23-14-8-3-9-15-23)20-21-10-4-1-5-11-21;;;;/h1,4-5,10-11,20,22-24H,2-3,6-9,12-19H2;3*1H;/q;;;;+3/p-3
InChIKeyJPXZHQBKQNCMQO-UHFFFAOYSA-K
MW921.23 g/mol
LogP11.29
Rot. Bonds4

About benzylidene-dicyclohexyl-(4,4-dichlorocyclohexyl)-λ5-phosphane;triiodoruthenium

benzylidene-dicyclohexyl-(4,4-dichlorocyclohexyl)-λ5-phosphane;triiodoruthenium (PubChem CID 175844699) has the molecular formula C25H37Cl2I3PRu and a molecular weight of 921.23 g/mol. Its IUPAC name is benzylidene-dicyclohexyl-(4,4-dichlorocyclohexyl)-λ5-phosphane;triiodoruthenium.

Molecular Properties

Compound Namebenzylidene-dicyclohexyl-(4,4-dichlorocyclohexyl)-λ5-phosphane;triiodoruthenium
PubChem CID175844699
Molecular FormulaC25H37Cl2I3PRu
Molecular Weight921.23 g/mol
Exact Mass920.82
IUPAC Namebenzylidene-dicyclohexyl-(4,4-dichlorocyclohexyl)-λ5-phosphane;triiodoruthenium
SMILESClC1(Cl)CCC(P(=Cc2ccccc2)(C2CCCCC2)C2CCCCC2)CC1.I[Ru](I)I
InChIInChI=1S/C25H37Cl2P.3HI.Ru/c26-25(27)18-16-24(17-19-25)28(22-12-6-2-7-13-22,23-14-8-3-9-15-23)20-21-10-4-1-5-11-21;;;;/h1,4-5,10-11,20,22-24H,2-3,6-9,12-19H2;3*1H;/q;;;;+3/p-3
InChIKeyJPXZHQBKQNCMQO-UHFFFAOYSA-K
XLogP11.29
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500921.23
LogP ≤ 511.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

benzylidene(tricyclohexyl)-λ5-phosphane
CID 57054416
benzylidene(tricyclohexyl)-λ5-phosphane;tricyclohexylphosphane;dihydrochloride
CID 173162409
(2-benzylidene-4,4-dichlorocyclohexyl)-dicyclohexylphosphane;ruthenium
CID 160502510
benzylidene(dichloro)ruthenium;carbanide;tricyclohexylphosphanium
CID 22899065
dicyclohexyl-(1,2-dichlorocyclohexyl)-[(2-propan-2-yloxyphenyl)methylidene]-λ5-phosphane
CID 87100558
trans-(1R,2R)-2-[[(E)-benzylideneamino]-methylamino]cyclohexan-1-ol
CID 10421471
(2-benzylidene-1,3-diiodocyclohexyl)-dicyclohexylphosphane;ruthenium
CID 157365293
1-cyclohexyl-3-[(E)-2-phenylethenyl]benzene
CID 168854089
(1S)-7,7-dichloro-1-phenylbicyclo[3.2.0]heptan-6-one
CID 134891099
7-chloro-1-methyl-7-phenylbicyclo[4.1.0]heptane
CID 73200035
benzylidene(chloro)ruthenium;tricyclohexylphosphane
CID 173136823
benzylidene(dichloro)ruthenium;bis(dicyclohexyl-(1,1-dimethylpiperidin-1-ium-4-yl)phosphanium)
CID 20682587

Frequently Asked Questions

What is the IUPAC name of benzylidene-dicyclohexyl-(4,4-dichlorocyclohexyl)-λ5-phosphane;triiodoruthenium?
The IUPAC name of benzylidene-dicyclohexyl-(4,4-dichlorocyclohexyl)-λ5-phosphane;triiodoruthenium (CID 175844699) is benzylidene-dicyclohexyl-(4,4-dichlorocyclohexyl)-λ5-phosphane;triiodoruthenium.
What is the SMILES notation for benzylidene-dicyclohexyl-(4,4-dichlorocyclohexyl)-λ5-phosphane;triiodoruthenium?
The canonical SMILES for benzylidene-dicyclohexyl-(4,4-dichlorocyclohexyl)-λ5-phosphane;triiodoruthenium is ClC1(Cl)CCC(P(=Cc2ccccc2)(C2CCCCC2)C2CCCCC2)CC1.I[Ru](I)I.
What is the InChIKey of benzylidene-dicyclohexyl-(4,4-dichlorocyclohexyl)-λ5-phosphane;triiodoruthenium?
The InChIKey is JPXZHQBKQNCMQO-UHFFFAOYSA-K. The full InChI is InChI=1S/C25H37Cl2P.3HI.Ru/c26-25(27)18-16-24(17-19-25)28(22-12-6-2-7-13-22,23-14-8-3-9-15-23)20-21-10-4-1-5-11-21;;;;/h1,4-5,10-11,20,22-24H,2-3,6-9,12-19H2;3*1H;/q;;;;+3/p-3.
What are the key properties of benzylidene-dicyclohexyl-(4,4-dichlorocyclohexyl)-λ5-phosphane;triiodoruthenium?
benzylidene-dicyclohexyl-(4,4-dichlorocyclohexyl)-λ5-phosphane;triiodoruthenium has a molecular weight of 921.23 g/mol, XLogP of 11.29, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for benzylidene-dicyclohexyl-(4,4-dichlorocyclohexyl)-λ5-phosphane;triiodoruthenium is sourced from PubChem (CID 175844699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).