bis(1-cyclopenta-1,3-dien-1-ylnaphthalene);iron(2+)

C30H22Fe — CID 173449057

IUPACbis(1-cyclopenta-1,3-dien-1-ylnaphthalene);iron(2+)
SMILES[C-]1=CC=C(c2cccc3ccccc23)C1.[C-]1=CC=C(c2cccc3ccccc23)C1.[Fe+2]
InChIInChI=1S/2C15H11.Fe/c2*1-2-7-12(6-1)15-11-5-9-13-8-3-4-10-14(13)15;/h2*1,3-6,8-11H,7H2;/q2*-1;+2
InChIKeyFWVHFIMNQYWGGP-UHFFFAOYSA-N
MW438.35 g/mol
LogP7.97
Rot. Bonds2

About bis(1-cyclopenta-1,3-dien-1-ylnaphthalene);iron(2+)

bis(1-cyclopenta-1,3-dien-1-ylnaphthalene);iron(2+) (PubChem CID 173449057) has the molecular formula C30H22Fe and a molecular weight of 438.35 g/mol. Its IUPAC name is bis(1-cyclopenta-1,3-dien-1-ylnaphthalene);iron(2+).

Molecular Properties

Compound Namebis(1-cyclopenta-1,3-dien-1-ylnaphthalene);iron(2+)
PubChem CID173449057
Molecular FormulaC30H22Fe
Molecular Weight438.35 g/mol
Exact Mass438.11
IUPAC Namebis(1-cyclopenta-1,3-dien-1-ylnaphthalene);iron(2+)
SMILES[C-]1=CC=C(c2cccc3ccccc23)C1.[C-]1=CC=C(c2cccc3ccccc23)C1.[Fe+2]
InChIInChI=1S/2C15H11.Fe/c2*1-2-7-12(6-1)15-11-5-9-13-8-3-4-10-14(13)15;/h2*1,3-6,8-11H,7H2;/q2*-1;+2
InChIKeyFWVHFIMNQYWGGP-UHFFFAOYSA-N
XLogP7.97
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500438.35
LogP ≤ 57.97
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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Frequently Asked Questions

What is the IUPAC name of bis(1-cyclopenta-1,3-dien-1-ylnaphthalene);iron(2+)?
The IUPAC name of bis(1-cyclopenta-1,3-dien-1-ylnaphthalene);iron(2+) (CID 173449057) is bis(1-cyclopenta-1,3-dien-1-ylnaphthalene);iron(2+).
What is the SMILES notation for bis(1-cyclopenta-1,3-dien-1-ylnaphthalene);iron(2+)?
The canonical SMILES for bis(1-cyclopenta-1,3-dien-1-ylnaphthalene);iron(2+) is [C-]1=CC=C(c2cccc3ccccc23)C1.[C-]1=CC=C(c2cccc3ccccc23)C1.[Fe+2].
What is the InChIKey of bis(1-cyclopenta-1,3-dien-1-ylnaphthalene);iron(2+)?
The InChIKey is FWVHFIMNQYWGGP-UHFFFAOYSA-N. The full InChI is InChI=1S/2C15H11.Fe/c2*1-2-7-12(6-1)15-11-5-9-13-8-3-4-10-14(13)15;/h2*1,3-6,8-11H,7H2;/q2*-1;+2.
What are the key properties of bis(1-cyclopenta-1,3-dien-1-ylnaphthalene);iron(2+)?
bis(1-cyclopenta-1,3-dien-1-ylnaphthalene);iron(2+) has a molecular weight of 438.35 g/mol, XLogP of 7.97, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for bis(1-cyclopenta-1,3-dien-1-ylnaphthalene);iron(2+) is sourced from PubChem (CID 173449057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).