carbon monoxide;iron;triphenylphosphanium

C22H16FeO4P+ — CID 6327270

IUPACcarbon monoxide;iron;triphenylphosphanium
SMILES[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[Fe].c1ccc([PH+](c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C18H15P.4CO.Fe/c1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;4*1-2;/h1-15H;;;;;/p+1
InChIKeyGHXDZMLBRWBQAM-UHFFFAOYSA-O
MW431.19 g/mol
LogP3.02
Rot. Bonds3

About carbon monoxide;iron;triphenylphosphanium

carbon monoxide;iron;triphenylphosphanium (PubChem CID 6327270) has the molecular formula C22H16FeO4P+ and a molecular weight of 431.19 g/mol. Its IUPAC name is carbon monoxide;iron;triphenylphosphanium.

Molecular Properties

Compound Namecarbon monoxide;iron;triphenylphosphanium
PubChem CID6327270
Molecular FormulaC22H16FeO4P+
Molecular Weight431.19 g/mol
Exact Mass431.01
IUPAC Namecarbon monoxide;iron;triphenylphosphanium
SMILES[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[Fe].c1ccc([PH+](c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C18H15P.4CO.Fe/c1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;4*1-2;/h1-15H;;;;;/p+1
InChIKeyGHXDZMLBRWBQAM-UHFFFAOYSA-O
XLogP3.02
TPSA79.60 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.19
LogP ≤ 53.02
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'}

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Frequently Asked Questions

What is the IUPAC name of carbon monoxide;iron;triphenylphosphanium?
The IUPAC name of carbon monoxide;iron;triphenylphosphanium (CID 6327270) is carbon monoxide;iron;triphenylphosphanium.
What is the SMILES notation for carbon monoxide;iron;triphenylphosphanium?
The canonical SMILES for carbon monoxide;iron;triphenylphosphanium is [C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[Fe].c1ccc([PH+](c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of carbon monoxide;iron;triphenylphosphanium?
The InChIKey is GHXDZMLBRWBQAM-UHFFFAOYSA-O. The full InChI is InChI=1S/C18H15P.4CO.Fe/c1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;4*1-2;/h1-15H;;;;;/p+1.
What are the key properties of carbon monoxide;iron;triphenylphosphanium?
carbon monoxide;iron;triphenylphosphanium has a molecular weight of 431.19 g/mol, XLogP of 3.02, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for carbon monoxide;iron;triphenylphosphanium is sourced from PubChem (CID 6327270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).