iron(2+);bis(2-phenylphenolate)

C24H18FeO2 — CID 158924180

IUPACiron(2+);bis(2-phenylphenolate)
SMILES[Fe+2].[O-]c1ccccc1-c1ccccc1.[O-]c1ccccc1-c1ccccc1
InChIInChI=1S/2C12H10O.Fe/c2*13-12-9-5-4-8-11(12)10-6-2-1-3-7-10;/h2*1-9,13H;/q;;+2/p-2
InChIKeyJIFHSSXRZKSGPM-UHFFFAOYSA-L
MW394.25 g/mol
LogP4.85
Rot. Bonds2

About iron(2+);bis(2-phenylphenolate)

iron(2+);bis(2-phenylphenolate) (PubChem CID 158924180) has the molecular formula C24H18FeO2 and a molecular weight of 394.25 g/mol. Its IUPAC name is iron(2+);bis(2-phenylphenolate).

Molecular Properties

Compound Nameiron(2+);bis(2-phenylphenolate)
PubChem CID158924180
Molecular FormulaC24H18FeO2
Molecular Weight394.25 g/mol
Exact Mass394.07
IUPAC Nameiron(2+);bis(2-phenylphenolate)
SMILES[Fe+2].[O-]c1ccccc1-c1ccccc1.[O-]c1ccccc1-c1ccccc1
InChIInChI=1S/2C12H10O.Fe/c2*13-12-9-5-4-8-11(12)10-6-2-1-3-7-10;/h2*1-9,13H;/q;;+2/p-2
InChIKeyJIFHSSXRZKSGPM-UHFFFAOYSA-L
XLogP4.85
TPSA46.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.25
LogP ≤ 54.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

copper bis(2-phenylphenolate)
CID 69349474
azanium 2-phenylphenolate
CID 70290125
potassium 2-phenylphenolate
CID 23686122
disodium;hydrogen carbonate;2-phenylphenolate
CID 159083163
sodium 2-(4-ethenylphenyl)phenolate
CID 142700332
methane;1-phenyl-2-(2-phenylphenyl)benzene
CID 144789864
CID 69011285
CID 69011285
zinc;2,6-diphenylphenolate;ethane
CID 160596418
2,3,6,7-tetraphenyltetraphenylene
CID 134982386
pentakis(benzene-1,2-diolate);bis(tantalum(5+))
CID 131730579
dilithium;benzene-1,2-diolate
CID 12557529
phosphanium 2,3,4,5-tetraphenylphenolate
CID 87286180

Frequently Asked Questions

What is the IUPAC name of iron(2+);bis(2-phenylphenolate)?
The IUPAC name of iron(2+);bis(2-phenylphenolate) (CID 158924180) is iron(2+);bis(2-phenylphenolate).
What is the SMILES notation for iron(2+);bis(2-phenylphenolate)?
The canonical SMILES for iron(2+);bis(2-phenylphenolate) is [Fe+2].[O-]c1ccccc1-c1ccccc1.[O-]c1ccccc1-c1ccccc1.
What is the InChIKey of iron(2+);bis(2-phenylphenolate)?
The InChIKey is JIFHSSXRZKSGPM-UHFFFAOYSA-L. The full InChI is InChI=1S/2C12H10O.Fe/c2*13-12-9-5-4-8-11(12)10-6-2-1-3-7-10;/h2*1-9,13H;/q;;+2/p-2.
What are the key properties of iron(2+);bis(2-phenylphenolate)?
iron(2+);bis(2-phenylphenolate) has a molecular weight of 394.25 g/mol, XLogP of 4.85, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for iron(2+);bis(2-phenylphenolate) is sourced from PubChem (CID 158924180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).