carbon monoxide;bis(diphenylphosphanium);iron

C30H24Fe2O6P2+2 — CID 6327288

IUPACcarbon monoxide;bis(diphenylphosphanium);iron
SMILES[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[Fe].[Fe].c1ccc([PH2+]c2ccccc2)cc1.c1ccc([PH2+]c2ccccc2)cc1
InChIInChI=1S/2C12H11P.6CO.2Fe/c2*1-3-7-11(8-4-1)13-12-9-5-2-6-10-12;6*1-2;;/h2*1-10,13H;;;;;;;;/p+2
InChIKeyHEZYYKUMDBBPAU-UHFFFAOYSA-P
MW654.15 g/mol
LogP3.87
Rot. Bonds4

About carbon monoxide;bis(diphenylphosphanium);iron

carbon monoxide;bis(diphenylphosphanium);iron (PubChem CID 6327288) has the molecular formula C30H24Fe2O6P2+2 and a molecular weight of 654.15 g/mol. Its IUPAC name is carbon monoxide;bis(diphenylphosphanium);iron.

Molecular Properties

Compound Namecarbon monoxide;bis(diphenylphosphanium);iron
PubChem CID6327288
Molecular FormulaC30H24Fe2O6P2+2
Molecular Weight654.15 g/mol
Exact Mass653.97
IUPAC Namecarbon monoxide;bis(diphenylphosphanium);iron
SMILES[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[Fe].[Fe].c1ccc([PH2+]c2ccccc2)cc1.c1ccc([PH2+]c2ccccc2)cc1
InChIInChI=1S/2C12H11P.6CO.2Fe/c2*1-3-7-11(8-4-1)13-12-9-5-2-6-10-12;6*1-2;;/h2*1-10,13H;;;;;;;;/p+2
InChIKeyHEZYYKUMDBBPAU-UHFFFAOYSA-P
XLogP3.87
TPSA119.40 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms40
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500654.15
LogP ≤ 53.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze carbon monoxide;bis(diphenylphosphanium);iron with MolForge

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

Launch Full Analysis

Related Compounds

tris(diphenylphosphanium);phosphate
CID 158131338
CID 16687792
CID 16687792
benzenethiolate;carbon monoxide;iron
CID 6398989
diphenylphosphanium;methyl sulfate
CID 158280708
1,1'-biphenyl;carbon monoxide;chromium
CID 11066186
acetylene;benzene;carbon monoxide;chromium
CID 134899125
carbon monoxide;molybdenum;bis(triphenylphosphanium)
CID 6327321
benzene;carbon monoxide;bis(vanadium)
CID 134898271
Molybdenum, pentacarbonyl(triphenylarsine)-
CID 6377774
carbon monoxide;molybdenum;tris(triphenylarsane)
CID 134902628
Rhenium,pentacarbonyl(triphenylstannyl)-
CID 6327306
azanylidyneoxidanium;bicyclo[4.2.0]octa-1,3,5,7-tetraene;carbon monoxide;iron
CID 134900349

Frequently Asked Questions

What is the IUPAC name of carbon monoxide;bis(diphenylphosphanium);iron?
The IUPAC name of carbon monoxide;bis(diphenylphosphanium);iron (CID 6327288) is carbon monoxide;bis(diphenylphosphanium);iron.
What is the SMILES notation for carbon monoxide;bis(diphenylphosphanium);iron?
The canonical SMILES for carbon monoxide;bis(diphenylphosphanium);iron is [C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[Fe].[Fe].c1ccc([PH2+]c2ccccc2)cc1.c1ccc([PH2+]c2ccccc2)cc1.
What is the InChIKey of carbon monoxide;bis(diphenylphosphanium);iron?
The InChIKey is HEZYYKUMDBBPAU-UHFFFAOYSA-P. The full InChI is InChI=1S/2C12H11P.6CO.2Fe/c2*1-3-7-11(8-4-1)13-12-9-5-2-6-10-12;6*1-2;;/h2*1-10,13H;;;;;;;;/p+2.
What are the key properties of carbon monoxide;bis(diphenylphosphanium);iron?
carbon monoxide;bis(diphenylphosphanium);iron has a molecular weight of 654.15 g/mol, XLogP of 3.87, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for carbon monoxide;bis(diphenylphosphanium);iron is sourced from PubChem (CID 6327288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).