CID 6392835

C28H17FePb-8 — CID 6392835

IUPAC—
SMILES[Fe+2].[c-]1[c-][c-][cH-][c-]1.[c-]1[c-][c-][cH-][c-]1.c1ccc([Pb](c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/3C6H5.2C5H.Fe.Pb/c3*1-2-4-6-5-3-1;2*1-2-4-5-3-1;;/h3*1-5H;2*1H;;/q;;;2*-5;+2;
InChIKeyTWFHXQBQIGXXEW-UHFFFAOYSA-N
MW616.49 g/mol
LogP3.41
Rot. Bonds3

About CID 6392835

CID 6392835 (PubChem CID 6392835) has the molecular formula C28H17FePb-8 and a molecular weight of 616.49 g/mol.

Molecular Properties

Compound NameCID 6392835
PubChem CID6392835
Molecular FormulaC28H17FePb-8
Molecular Weight616.49 g/mol
Exact Mass617.05
IUPAC Name—
SMILES[Fe+2].[c-]1[c-][c-][cH-][c-]1.[c-]1[c-][c-][cH-][c-]1.c1ccc([Pb](c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/3C6H5.2C5H.Fe.Pb/c3*1-2-4-6-5-3-1;2*1-2-4-5-3-1;;/h3*1-5H;2*1H;;/q;;;2*-5;+2;
InChIKeyTWFHXQBQIGXXEW-UHFFFAOYSA-N
XLogP3.41
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500616.49
LogP ≤ 53.41
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 CID 6392835?
The IUPAC name of CID 6392835 (CID 6392835) is not available.
What is the SMILES notation for CID 6392835?
The canonical SMILES for CID 6392835 is [Fe+2].[c-]1[c-][c-][cH-][c-]1.[c-]1[c-][c-][cH-][c-]1.c1ccc([Pb](c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of CID 6392835?
The InChIKey is TWFHXQBQIGXXEW-UHFFFAOYSA-N. The full InChI is InChI=1S/3C6H5.2C5H.Fe.Pb/c3*1-2-4-6-5-3-1;2*1-2-4-5-3-1;;/h3*1-5H;2*1H;;/q;;;2*-5;+2;.
What are the key properties of CID 6392835?
CID 6392835 has a molecular weight of 616.49 g/mol, XLogP of 3.41, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 6392835 is sourced from PubChem (CID 6392835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).