(2-benzylidene-1,3-diiodocyclohexyl)-dicyclohexylphosphane;ruthenium

C25H35I2PRu — CID 157365293

IUPAC(2-benzylidene-1,3-diiodocyclohexyl)-dicyclohexylphosphane;ruthenium
SMILESIC1CCCC(I)(P(C2CCCCC2)C2CCCCC2)C1=Cc1ccccc1.[Ru]
InChIInChI=1S/C25H35I2P.Ru/c26-24-17-10-18-25(27,23(24)19-20-11-4-1-5-12-20)28(21-13-6-2-7-14-21)22-15-8-3-9-16-22;/h1,4-5,11-12,19,21-22,24H,2-3,6-10,13-18H2;
InChIKeyBJCKPHTZWHEIAP-UHFFFAOYSA-N
MW721.41 g/mol
LogP9.33
Rot. Bonds4

About (2-benzylidene-1,3-diiodocyclohexyl)-dicyclohexylphosphane;ruthenium

(2-benzylidene-1,3-diiodocyclohexyl)-dicyclohexylphosphane;ruthenium (PubChem CID 157365293) has the molecular formula C25H35I2PRu and a molecular weight of 721.41 g/mol. Its IUPAC name is (2-benzylidene-1,3-diiodocyclohexyl)-dicyclohexylphosphane;ruthenium.

Molecular Properties

Compound Name(2-benzylidene-1,3-diiodocyclohexyl)-dicyclohexylphosphane;ruthenium
PubChem CID157365293
Molecular FormulaC25H35I2PRu
Molecular Weight721.41 g/mol
Exact Mass721.96
IUPAC Name(2-benzylidene-1,3-diiodocyclohexyl)-dicyclohexylphosphane;ruthenium
SMILESIC1CCCC(I)(P(C2CCCCC2)C2CCCCC2)C1=Cc1ccccc1.[Ru]
InChIInChI=1S/C25H35I2P.Ru/c26-24-17-10-18-25(27,23(24)19-20-11-4-1-5-12-20)28(21-13-6-2-7-14-21)22-15-8-3-9-16-22;/h1,4-5,11-12,19,21-22,24H,2-3,6-10,13-18H2;
InChIKeyBJCKPHTZWHEIAP-UHFFFAOYSA-N
XLogP9.33
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500721.41
LogP ≤ 59.33
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

(2-benzylidene-1,3-dibromocyclohexyl)-dicyclohexylphosphane;ruthenium
CID 158288010
(2-benzylidene-4,4-dichlorocyclohexyl)-dicyclohexylphosphane;ruthenium
CID 160502510
benzylidene(chloro)ruthenium;tricyclohexylphosphane
CID 173136823
[2-benzylidene-3-[1,3-bis(2,4,6-trimethylphenyl)imidazolidin-2-yl]-1,3-dichlorocyclohexyl]-dicyclohexylphosphane;ruthenium
CID 175746135
cyclononyl(diphenyl)phosphane
CID 70908257
[2-benzylidene-3-[1,3-bis(2,4,6-trimethylphenyl)imidazolidin-2-ylidene]-1,4-dichlorocyclohexyl]-dicyclohexylphosphane
CID 159510451
benzylidene(tricyclohexyl)-λ5-phosphane;tricyclohexylphosphane;dihydrochloride
CID 173162409
[2-benzylidene-3-[1,3-bis[2,6-di(propan-2-yl)phenyl]imidazolidin-2-ylidene]-1,4-dichlorocyclohexyl]-dicyclohexylphosphane;bis(ruthenium(2+))
CID 175785708
benzylidene(tricyclohexyl)-λ5-phosphane
CID 57054416
dicyclohexyl-(1,3-dimethoxy-2-phenylcyclohexa-2,4-dien-1-yl)phosphane;hydrochloride
CID 175706079
dicyclopentyl(1-phenylprop-1-en-2-yl)phosphane
CID 140620468
(8E)-8-benzylidene-2,3,4,4a,5,6,7,8a-octahydro-1H-naphthalene
CID 13164040

Frequently Asked Questions

What is the IUPAC name of (2-benzylidene-1,3-diiodocyclohexyl)-dicyclohexylphosphane;ruthenium?
The IUPAC name of (2-benzylidene-1,3-diiodocyclohexyl)-dicyclohexylphosphane;ruthenium (CID 157365293) is (2-benzylidene-1,3-diiodocyclohexyl)-dicyclohexylphosphane;ruthenium.
What is the SMILES notation for (2-benzylidene-1,3-diiodocyclohexyl)-dicyclohexylphosphane;ruthenium?
The canonical SMILES for (2-benzylidene-1,3-diiodocyclohexyl)-dicyclohexylphosphane;ruthenium is IC1CCCC(I)(P(C2CCCCC2)C2CCCCC2)C1=Cc1ccccc1.[Ru].
What is the InChIKey of (2-benzylidene-1,3-diiodocyclohexyl)-dicyclohexylphosphane;ruthenium?
The InChIKey is BJCKPHTZWHEIAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H35I2P.Ru/c26-24-17-10-18-25(27,23(24)19-20-11-4-1-5-12-20)28(21-13-6-2-7-14-21)22-15-8-3-9-16-22;/h1,4-5,11-12,19,21-22,24H,2-3,6-10,13-18H2;.
What are the key properties of (2-benzylidene-1,3-diiodocyclohexyl)-dicyclohexylphosphane;ruthenium?
(2-benzylidene-1,3-diiodocyclohexyl)-dicyclohexylphosphane;ruthenium has a molecular weight of 721.41 g/mol, XLogP of 9.33, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (2-benzylidene-1,3-diiodocyclohexyl)-dicyclohexylphosphane;ruthenium is sourced from PubChem (CID 157365293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).