diphenylphosphane;iron(3+);methanone

C15H14FeO3P — CID 174711189

IUPACdiphenylphosphane;iron(3+);methanone
SMILES[CH-]=O.[CH-]=O.[CH-]=O.[Fe+3].c1ccc(Pc2ccccc2)cc1
InChIInChI=1S/C12H11P.3CHO.Fe/c1-3-7-11(8-4-1)13-12-9-5-2-6-10-12;3*1-2;/h1-10,13H;3*1H;/q;3*-1;+3
InChIKeyGZQONYRDJGHPIS-UHFFFAOYSA-N
MW329.09 g/mol
LogP1.49
Rot. Bonds2

About diphenylphosphane;iron(3+);methanone

diphenylphosphane;iron(3+);methanone (PubChem CID 174711189) has the molecular formula C15H14FeO3P and a molecular weight of 329.09 g/mol. Its IUPAC name is diphenylphosphane;iron(3+);methanone.

Molecular Properties

Compound Namediphenylphosphane;iron(3+);methanone
PubChem CID174711189
Molecular FormulaC15H14FeO3P
Molecular Weight329.09 g/mol
Exact Mass329.00
IUPAC Namediphenylphosphane;iron(3+);methanone
SMILES[CH-]=O.[CH-]=O.[CH-]=O.[Fe+3].c1ccc(Pc2ccccc2)cc1
InChIInChI=1S/C12H11P.3CHO.Fe/c1-3-7-11(8-4-1)13-12-9-5-2-6-10-12;3*1-2;/h1-10,13H;3*1H;/q;3*-1;+3
InChIKeyGZQONYRDJGHPIS-UHFFFAOYSA-N
XLogP1.49
TPSA51.21 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.09
LogP ≤ 51.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

Analyze diphenylphosphane;iron(3+);methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of diphenylphosphane;iron(3+);methanone?
The IUPAC name of diphenylphosphane;iron(3+);methanone (CID 174711189) is diphenylphosphane;iron(3+);methanone.
What is the SMILES notation for diphenylphosphane;iron(3+);methanone?
The canonical SMILES for diphenylphosphane;iron(3+);methanone is [CH-]=O.[CH-]=O.[CH-]=O.[Fe+3].c1ccc(Pc2ccccc2)cc1.
What is the InChIKey of diphenylphosphane;iron(3+);methanone?
The InChIKey is GZQONYRDJGHPIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11P.3CHO.Fe/c1-3-7-11(8-4-1)13-12-9-5-2-6-10-12;3*1-2;/h1-10,13H;3*1H;/q;3*-1;+3.
What are the key properties of diphenylphosphane;iron(3+);methanone?
diphenylphosphane;iron(3+);methanone has a molecular weight of 329.09 g/mol, XLogP of 1.49, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for diphenylphosphane;iron(3+);methanone is sourced from PubChem (CID 174711189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).