cyclopenta-2,4-dien-1-yl(diphenyl)phosphane;cyclopentane;iron;palladium(2+);dichloride

C22H19Cl2FePPd-6 — CID 173329991

IUPACcyclopenta-2,4-dien-1-yl(diphenyl)phosphane;cyclopentane;iron;palladium(2+);dichloride
SMILES[Cl-].[Cl-].[Fe].[Pd+2].[cH-]1[cH-][cH-][cH-][cH-]1.c1ccc(P(c2ccccc2)[c-]2cccc2)cc1
InChIInChI=1S/C17H14P.C5H5.2ClH.Fe.Pd/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;2*1H;;/q-1;-5;;;;+2/p-2
InChIKeyHXGXHQVZBPOIIF-UHFFFAOYSA-L
MW547.54 g/mol
LogP-1.43
Rot. Bonds3

About cyclopenta-2,4-dien-1-yl(diphenyl)phosphane;cyclopentane;iron;palladium(2+);dichloride

cyclopenta-2,4-dien-1-yl(diphenyl)phosphane;cyclopentane;iron;palladium(2+);dichloride (PubChem CID 173329991) has the molecular formula C22H19Cl2FePPd-6 and a molecular weight of 547.54 g/mol. Its IUPAC name is cyclopenta-2,4-dien-1-yl(diphenyl)phosphane;cyclopentane;iron;palladium(2+);dichloride.

Molecular Properties

Compound Namecyclopenta-2,4-dien-1-yl(diphenyl)phosphane;cyclopentane;iron;palladium(2+);dichloride
PubChem CID173329991
Molecular FormulaC22H19Cl2FePPd-6
Molecular Weight547.54 g/mol
Exact Mass545.90
IUPAC Namecyclopenta-2,4-dien-1-yl(diphenyl)phosphane;cyclopentane;iron;palladium(2+);dichloride
SMILES[Cl-].[Cl-].[Fe].[Pd+2].[cH-]1[cH-][cH-][cH-][cH-]1.c1ccc(P(c2ccccc2)[c-]2cccc2)cc1
InChIInChI=1S/C17H14P.C5H5.2ClH.Fe.Pd/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;2*1H;;/q-1;-5;;;;+2/p-2
InChIKeyHXGXHQVZBPOIIF-UHFFFAOYSA-L
XLogP-1.43
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500547.54
LogP ≤ 5-1.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

cyclopenta-2,4-dien-1-yl(diphenyl)phosphane;cyclopentane;ruthenium
CID 174391548
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
1-cyclopenta-2,4-dien-1-ylethyl(diphenyl)phosphane;cyclopentane;iron
CID 87995622
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
1-cyclopenta-2,4-dien-1-yl-1-diphenylphosphanylethanamine;cyclopentane;iron
CID 174218525
cyclopentane;[2-(4,5-dihydro-1H-imidazol-2-yl)cyclopenta-2,4-dien-1-yl]-diphenylphosphane;iron
CID 87835803
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
cyclopenta-2,4-dien-1-yl-bis(2-methylphenyl)phosphane;cyclopentyl-bis(2-methylphenyl)phosphane;iron
CID 87186633
iron dihydride;tetrakis(triphenylphosphane)
CID 172730134

Frequently Asked Questions

What is the IUPAC name of cyclopenta-2,4-dien-1-yl(diphenyl)phosphane;cyclopentane;iron;palladium(2+);dichloride?
The IUPAC name of cyclopenta-2,4-dien-1-yl(diphenyl)phosphane;cyclopentane;iron;palladium(2+);dichloride (CID 173329991) is cyclopenta-2,4-dien-1-yl(diphenyl)phosphane;cyclopentane;iron;palladium(2+);dichloride.
What is the SMILES notation for cyclopenta-2,4-dien-1-yl(diphenyl)phosphane;cyclopentane;iron;palladium(2+);dichloride?
The canonical SMILES for cyclopenta-2,4-dien-1-yl(diphenyl)phosphane;cyclopentane;iron;palladium(2+);dichloride is [Cl-].[Cl-].[Fe].[Pd+2].[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;iron;palladium(2+);dichloride?
The InChIKey is HXGXHQVZBPOIIF-UHFFFAOYSA-L. The full InChI is InChI=1S/C17H14P.C5H5.2ClH.Fe.Pd/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;2*1H;;/q-1;-5;;;;+2/p-2.
What are the key properties of cyclopenta-2,4-dien-1-yl(diphenyl)phosphane;cyclopentane;iron;palladium(2+);dichloride?
cyclopenta-2,4-dien-1-yl(diphenyl)phosphane;cyclopentane;iron;palladium(2+);dichloride has a molecular weight of 547.54 g/mol, XLogP of -1.43, 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;iron;palladium(2+);dichloride is sourced from PubChem (CID 173329991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).