benzene;cyclopenta-1,3-diene;cyclopentane;dichloropalladium;iron

C22H20Cl2FePd-8 — CID 87523951

IUPACbenzene;cyclopenta-1,3-diene;cyclopentane;dichloropalladium;iron
SMILESCl[Pd]Cl.[Fe].[c-]1ccccc1.[c-]1ccccc1.[cH-]1[cH-][cH-][cH-][cH-]1.c1cc[cH-]c1
InChIInChI=1S/2C6H5.2C5H5.2ClH.Fe.Pd/c2*1-2-4-6-5-3-1;2*1-2-4-5-3-1;;;;/h2*1-5H;2*1-5H;2*1H;;/q2*-1;-5;-1;;;;+2/p-2
InChIKeyBQYXWNAXWCFBHL-UHFFFAOYSA-L
MW517.57 g/mol
LogP7.16
Rot. Bonds

About benzene;cyclopenta-1,3-diene;cyclopentane;dichloropalladium;iron

benzene;cyclopenta-1,3-diene;cyclopentane;dichloropalladium;iron (PubChem CID 87523951) has the molecular formula C22H20Cl2FePd-8 and a molecular weight of 517.57 g/mol. Its IUPAC name is benzene;cyclopenta-1,3-diene;cyclopentane;dichloropalladium;iron.

Molecular Properties

Compound Namebenzene;cyclopenta-1,3-diene;cyclopentane;dichloropalladium;iron
PubChem CID87523951
Molecular FormulaC22H20Cl2FePd-8
Molecular Weight517.57 g/mol
Exact Mass515.94
IUPAC Namebenzene;cyclopenta-1,3-diene;cyclopentane;dichloropalladium;iron
SMILESCl[Pd]Cl.[Fe].[c-]1ccccc1.[c-]1ccccc1.[cH-]1[cH-][cH-][cH-][cH-]1.c1cc[cH-]c1
InChIInChI=1S/2C6H5.2C5H5.2ClH.Fe.Pd/c2*1-2-4-6-5-3-1;2*1-2-4-5-3-1;;;;/h2*1-5H;2*1-5H;2*1H;;/q2*-1;-5;-1;;;;+2/p-2
InChIKeyBQYXWNAXWCFBHL-UHFFFAOYSA-L
XLogP7.16
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms26
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500517.57
LogP ≤ 57.16
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'}

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Related Compounds

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CID 140983733
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CID 141003977
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CID 11985834
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CID 175426110
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CID 166063393
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CID 173320155
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CID 173382840
cyclopenta-1,3-diene;cyclopentane;tantalum dihydride
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CID 175492461
benzene;cyclopenta-1,3-diene;1,2,3,4,5-pentamethylbenzene-6-ide;titanium(4+)
CID 150081825

Frequently Asked Questions

What is the IUPAC name of benzene;cyclopenta-1,3-diene;cyclopentane;dichloropalladium;iron?
The IUPAC name of benzene;cyclopenta-1,3-diene;cyclopentane;dichloropalladium;iron (CID 87523951) is benzene;cyclopenta-1,3-diene;cyclopentane;dichloropalladium;iron.
What is the SMILES notation for benzene;cyclopenta-1,3-diene;cyclopentane;dichloropalladium;iron?
The canonical SMILES for benzene;cyclopenta-1,3-diene;cyclopentane;dichloropalladium;iron is Cl[Pd]Cl.[Fe].[c-]1ccccc1.[c-]1ccccc1.[cH-]1[cH-][cH-][cH-][cH-]1.c1cc[cH-]c1.
What is the InChIKey of benzene;cyclopenta-1,3-diene;cyclopentane;dichloropalladium;iron?
The InChIKey is BQYXWNAXWCFBHL-UHFFFAOYSA-L. The full InChI is InChI=1S/2C6H5.2C5H5.2ClH.Fe.Pd/c2*1-2-4-6-5-3-1;2*1-2-4-5-3-1;;;;/h2*1-5H;2*1-5H;2*1H;;/q2*-1;-5;-1;;;;+2/p-2.
What are the key properties of benzene;cyclopenta-1,3-diene;cyclopentane;dichloropalladium;iron?
benzene;cyclopenta-1,3-diene;cyclopentane;dichloropalladium;iron has a molecular weight of 517.57 g/mol, XLogP of 7.16, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for benzene;cyclopenta-1,3-diene;cyclopentane;dichloropalladium;iron is sourced from PubChem (CID 87523951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).