cyclopenta-2,4-dien-1-yl(diphenyl)phosphane;cyclopentane;ruthenium

C22H19PRu-6 — CID 174391548

IUPACcyclopenta-2,4-dien-1-yl(diphenyl)phosphane;cyclopentane;ruthenium
SMILES[Ru].[cH-]1[cH-][cH-][cH-][cH-]1.c1ccc(P(c2ccccc2)[c-]2cccc2)cc1
InChIInChI=1S/C17H14P.C5H5.Ru/c1-3-9-15(10-4-1)18(17-13-7-8-14-17)16-11-5-2-6-12-16;1-2-4-5-3-1;/h1-14H;1-5H;/q-1;-5;
InChIKeyUUIKUUFDVGNCJS-UHFFFAOYSA-N
MW415.44 g/mol
LogP4.57
Rot. Bonds3

About cyclopenta-2,4-dien-1-yl(diphenyl)phosphane;cyclopentane;ruthenium

cyclopenta-2,4-dien-1-yl(diphenyl)phosphane;cyclopentane;ruthenium (PubChem CID 174391548) has the molecular formula C22H19PRu-6 and a molecular weight of 415.44 g/mol. Its IUPAC name is cyclopenta-2,4-dien-1-yl(diphenyl)phosphane;cyclopentane;ruthenium.

Molecular Properties

Compound Namecyclopenta-2,4-dien-1-yl(diphenyl)phosphane;cyclopentane;ruthenium
PubChem CID174391548
Molecular FormulaC22H19PRu-6
Molecular Weight415.44 g/mol
Exact Mass416.03
IUPAC Namecyclopenta-2,4-dien-1-yl(diphenyl)phosphane;cyclopentane;ruthenium
SMILES[Ru].[cH-]1[cH-][cH-][cH-][cH-]1.c1ccc(P(c2ccccc2)[c-]2cccc2)cc1
InChIInChI=1S/C17H14P.C5H5.Ru/c1-3-9-15(10-4-1)18(17-13-7-8-14-17)16-11-5-2-6-12-16;1-2-4-5-3-1;/h1-14H;1-5H;/q-1;-5;
InChIKeyUUIKUUFDVGNCJS-UHFFFAOYSA-N
XLogP4.57
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.44
LogP ≤ 54.57
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

cyclopenta-2,4-dien-1-yl(diphenyl)phosphane;cyclopentane;iron;palladium(2+);dichloride
CID 173329991
cyclopenta-2,4-dien-1-yl(diphenyl)phosphane;cyclopentane;dichloronickel;iron
CID 87962798
bis(cyclopenta-1,3-diene);cyclopenta-2,4-dien-1-yl(diphenyl)phosphane;cyclopentyl(diphenyl)phosphane;iron;palladium(2+);dihydrochloride
CID 173494216
cyclopenta-2,4-dien-1-yl-phenyl-propan-2-ylphosphane;cyclopentane;iron
CID 174302734
cyclopenta-2,4-dien-1-yl(diphenyl)phosphane;(5-ethenylcyclopenta-1,3-dien-1-yl)-diphenylphosphane;iron(2+)
CID 153291057
cyclopenta-1,4-dien-1-yl(diphenyl)phosphane;cyclopenta-2,4-dien-1-yl(diphenyl)phosphane;iron(3+);1-oxidopyridin-1-ium-2-thiolate
CID 134814604
1-cyclopenta-2,4-dien-1-ylethyl(diphenyl)phosphane;cyclopentane;iron
CID 87995622
1-cyclopenta-2,4-dien-1-yl-1-diphenylphosphanylethanamine;cyclopentane;iron
CID 174218525
cyclopenta-2,4-dien-1-ylbenzene;cyclopentane;vanadium
CID 173359125
cyclopenta-2,4-dien-1-yl(diphenyl)phosphane;iron(2+);N-(2-methylsulfanylethyl)cyclopenta-1,3-diene-1-carboxamide;palladium(2+);dichloride;hydrate
CID 139163065
cyclopenta-2,4-dien-1-yl-bis(2-methylphenyl)phosphane;cyclopentyl-bis(2-methylphenyl)phosphane;iron
CID 87186633
cobalt;cyclopenta-2,4-dien-1-yl(diethyl)phosphane;cyclopentane
CID 174798718

Frequently Asked Questions

What is the IUPAC name of cyclopenta-2,4-dien-1-yl(diphenyl)phosphane;cyclopentane;ruthenium?
The IUPAC name of cyclopenta-2,4-dien-1-yl(diphenyl)phosphane;cyclopentane;ruthenium (CID 174391548) is cyclopenta-2,4-dien-1-yl(diphenyl)phosphane;cyclopentane;ruthenium.
What is the SMILES notation for cyclopenta-2,4-dien-1-yl(diphenyl)phosphane;cyclopentane;ruthenium?
The canonical SMILES for cyclopenta-2,4-dien-1-yl(diphenyl)phosphane;cyclopentane;ruthenium is [Ru].[cH-]1[cH-][cH-][cH-][cH-]1.c1ccc(P(c2ccccc2)[c-]2cccc2)cc1.
What is the InChIKey of cyclopenta-2,4-dien-1-yl(diphenyl)phosphane;cyclopentane;ruthenium?
The InChIKey is UUIKUUFDVGNCJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14P.C5H5.Ru/c1-3-9-15(10-4-1)18(17-13-7-8-14-17)16-11-5-2-6-12-16;1-2-4-5-3-1;/h1-14H;1-5H;/q-1;-5;.
What are the key properties of cyclopenta-2,4-dien-1-yl(diphenyl)phosphane;cyclopentane;ruthenium?
cyclopenta-2,4-dien-1-yl(diphenyl)phosphane;cyclopentane;ruthenium has a molecular weight of 415.44 g/mol, XLogP of 4.57, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopenta-2,4-dien-1-yl(diphenyl)phosphane;cyclopentane;ruthenium is sourced from PubChem (CID 174391548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).