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

C20H16Fe2I2 — CID 136948957

IUPAC5-cyclopenta-2,4-dien-1-ylcyclopenta-1,3-diene;bis(1-iodocyclopenta-1,3-diene);bis(iron(2+))
SMILESIc1ccc[cH-]1.Ic1ccc[cH-]1.[Fe+2].[Fe+2].c1cc[c-](-[c-]2cccc2)c1
InChIInChI=1S/C10H8.2C5H4I.2Fe/c1-2-6-9(5-1)10-7-3-4-8-10;2*6-5-3-1-2-4-5;;/h1-8H;2*1-4H;;/q-2;2*-1;2*+2
InChIKeyDZYPVORTMZIHET-UHFFFAOYSA-N
MW621.85 g/mol
LogP6.81
Rot. Bonds1

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

5-cyclopenta-2,4-dien-1-ylcyclopenta-1,3-diene;bis(1-iodocyclopenta-1,3-diene);bis(iron(2+)) (PubChem CID 136948957) has the molecular formula C20H16Fe2I2 and a molecular weight of 621.85 g/mol. Its IUPAC name is 5-cyclopenta-2,4-dien-1-ylcyclopenta-1,3-diene;bis(1-iodocyclopenta-1,3-diene);bis(iron(2+)).

Molecular Properties

Compound Name5-cyclopenta-2,4-dien-1-ylcyclopenta-1,3-diene;bis(1-iodocyclopenta-1,3-diene);bis(iron(2+))
PubChem CID136948957
Molecular FormulaC20H16Fe2I2
Molecular Weight621.85 g/mol
Exact Mass621.80
IUPAC Name5-cyclopenta-2,4-dien-1-ylcyclopenta-1,3-diene;bis(1-iodocyclopenta-1,3-diene);bis(iron(2+))
SMILESIc1ccc[cH-]1.Ic1ccc[cH-]1.[Fe+2].[Fe+2].c1cc[c-](-[c-]2cccc2)c1
InChIInChI=1S/C10H8.2C5H4I.2Fe/c1-2-6-9(5-1)10-7-3-4-8-10;2*6-5-3-1-2-4-5;;/h1-8H;2*1-4H;;/q-2;2*-1;2*+2
InChIKeyDZYPVORTMZIHET-UHFFFAOYSA-N
XLogP6.81
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500621.85
LogP ≤ 56.81
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': 'iodine', 'substructure': 'N/A'}

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Related Compounds

bis(1-iodocyclopenta-1,3-diene);ruthenium(2+)
CID 158276340
cyclopenta-1,3-dien-1-ylazanide
CID 15802369
chromium(2+);bis(1-methylcyclopenta-1,3-diene)
CID 160665189
chromium(2+);bis(cyclopenta-1,3-dien-1-amine)
CID 175973663
bis(1-methylcyclopenta-1,3-diene);zirconium(2+)
CID 131719615
5-cyclopenta-2,4-dien-1-ylcyclopenta-1,3-diene;bis(5-(2,2-dimethylpropyl)cyclopenta-1,3-diene);bis(iron(2+))
CID 137209033
cyclopenta-1,3-diene;iron(2+);1-prop-1-ynylcyclopenta-1,3-diene
CID 160569837
1-bromocyclopenta-1,3-diene;1-ethynylcyclopenta-1,3-diene;iron(2+)
CID 160778051
CID 139212009
CID 139212009
bis(cyclopenta-1,3-dien-1-ylmethylbenzene);iron(2+)
CID 517163
bis(1-ethylcyclopenta-1,3-diene);titanium(2+)
CID 172701358
1-bromocyclopenta-1,3-diene;cyclopenta-1,3-diene;iron
CID 57369550

Frequently Asked Questions

What is the IUPAC name of 5-cyclopenta-2,4-dien-1-ylcyclopenta-1,3-diene;bis(1-iodocyclopenta-1,3-diene);bis(iron(2+))?
The IUPAC name of 5-cyclopenta-2,4-dien-1-ylcyclopenta-1,3-diene;bis(1-iodocyclopenta-1,3-diene);bis(iron(2+)) (CID 136948957) is 5-cyclopenta-2,4-dien-1-ylcyclopenta-1,3-diene;bis(1-iodocyclopenta-1,3-diene);bis(iron(2+)).
What is the SMILES notation for 5-cyclopenta-2,4-dien-1-ylcyclopenta-1,3-diene;bis(1-iodocyclopenta-1,3-diene);bis(iron(2+))?
The canonical SMILES for 5-cyclopenta-2,4-dien-1-ylcyclopenta-1,3-diene;bis(1-iodocyclopenta-1,3-diene);bis(iron(2+)) is Ic1ccc[cH-]1.Ic1ccc[cH-]1.[Fe+2].[Fe+2].c1cc[c-](-[c-]2cccc2)c1.
What is the InChIKey of 5-cyclopenta-2,4-dien-1-ylcyclopenta-1,3-diene;bis(1-iodocyclopenta-1,3-diene);bis(iron(2+))?
The InChIKey is DZYPVORTMZIHET-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8.2C5H4I.2Fe/c1-2-6-9(5-1)10-7-3-4-8-10;2*6-5-3-1-2-4-5;;/h1-8H;2*1-4H;;/q-2;2*-1;2*+2.
What are the key properties of 5-cyclopenta-2,4-dien-1-ylcyclopenta-1,3-diene;bis(1-iodocyclopenta-1,3-diene);bis(iron(2+))?
5-cyclopenta-2,4-dien-1-ylcyclopenta-1,3-diene;bis(1-iodocyclopenta-1,3-diene);bis(iron(2+)) has a molecular weight of 621.85 g/mol, XLogP of 6.81, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopenta-2,4-dien-1-ylcyclopenta-1,3-diene;bis(1-iodocyclopenta-1,3-diene);bis(iron(2+)) is sourced from PubChem (CID 136948957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).