bis(cyclopenta-1,3-diene);5-cyclopenta-2,4-dien-1-ylcyclopenta-1,3-diene;iron

C20H14Fe2-8 — CID 24883653

IUPACbis(cyclopenta-1,3-diene);5-cyclopenta-2,4-dien-1-ylcyclopenta-1,3-diene;iron
SMILES[Fe].[Fe].[c-]1[c-][c-][c-](-[c-]2cccc2)[c-]1.c1cc[cH-]c1.c1cc[cH-]c1
InChIInChI=1S/C10H4.2C5H5.2Fe/c1-2-6-9(5-1)10-7-3-4-8-10;2*1-2-4-5-3-1;;/h1-2,5-6H;2*1-5H;;/q-6;2*-1;;
InChIKeyOBPUHBYZTXTZIK-UHFFFAOYSA-N
MW366.02 g/mol
LogP4.80
Rot. Bonds1

About bis(cyclopenta-1,3-diene);5-cyclopenta-2,4-dien-1-ylcyclopenta-1,3-diene;iron

bis(cyclopenta-1,3-diene);5-cyclopenta-2,4-dien-1-ylcyclopenta-1,3-diene;iron (PubChem CID 24883653) has the molecular formula C20H14Fe2-8 and a molecular weight of 366.02 g/mol. Its IUPAC name is bis(cyclopenta-1,3-diene);5-cyclopenta-2,4-dien-1-ylcyclopenta-1,3-diene;iron.

Molecular Properties

Compound Namebis(cyclopenta-1,3-diene);5-cyclopenta-2,4-dien-1-ylcyclopenta-1,3-diene;iron
PubChem CID24883653
Molecular FormulaC20H14Fe2-8
Molecular Weight366.02 g/mol
Exact Mass365.98
IUPAC Namebis(cyclopenta-1,3-diene);5-cyclopenta-2,4-dien-1-ylcyclopenta-1,3-diene;iron
SMILES[Fe].[Fe].[c-]1[c-][c-][c-](-[c-]2cccc2)[c-]1.c1cc[cH-]c1.c1cc[cH-]c1
InChIInChI=1S/C10H4.2C5H5.2Fe/c1-2-6-9(5-1)10-7-3-4-8-10;2*1-2-4-5-3-1;;/h1-2,5-6H;2*1-5H;;/q-6;2*-1;;
InChIKeyOBPUHBYZTXTZIK-UHFFFAOYSA-N
XLogP4.80
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.02
LogP ≤ 54.80
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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Frequently Asked Questions

What is the IUPAC name of bis(cyclopenta-1,3-diene);5-cyclopenta-2,4-dien-1-ylcyclopenta-1,3-diene;iron?
The IUPAC name of bis(cyclopenta-1,3-diene);5-cyclopenta-2,4-dien-1-ylcyclopenta-1,3-diene;iron (CID 24883653) is bis(cyclopenta-1,3-diene);5-cyclopenta-2,4-dien-1-ylcyclopenta-1,3-diene;iron.
What is the SMILES notation for bis(cyclopenta-1,3-diene);5-cyclopenta-2,4-dien-1-ylcyclopenta-1,3-diene;iron?
The canonical SMILES for bis(cyclopenta-1,3-diene);5-cyclopenta-2,4-dien-1-ylcyclopenta-1,3-diene;iron is [Fe].[Fe].[c-]1[c-][c-][c-](-[c-]2cccc2)[c-]1.c1cc[cH-]c1.c1cc[cH-]c1.
What is the InChIKey of bis(cyclopenta-1,3-diene);5-cyclopenta-2,4-dien-1-ylcyclopenta-1,3-diene;iron?
The InChIKey is OBPUHBYZTXTZIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H4.2C5H5.2Fe/c1-2-6-9(5-1)10-7-3-4-8-10;2*1-2-4-5-3-1;;/h1-2,5-6H;2*1-5H;;/q-6;2*-1;;.
What are the key properties of bis(cyclopenta-1,3-diene);5-cyclopenta-2,4-dien-1-ylcyclopenta-1,3-diene;iron?
bis(cyclopenta-1,3-diene);5-cyclopenta-2,4-dien-1-ylcyclopenta-1,3-diene;iron has a molecular weight of 366.02 g/mol, XLogP of 4.80, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for bis(cyclopenta-1,3-diene);5-cyclopenta-2,4-dien-1-ylcyclopenta-1,3-diene;iron is sourced from PubChem (CID 24883653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).