carbon monoxide;cyclopenta-1,3-diene;ethane;iron;triphenylphosphanium

C26H22FeOP-5 — CID 6392354

IUPACcarbon monoxide;cyclopenta-1,3-diene;ethane;iron;triphenylphosphanium
SMILES[C-]#[O+].[CH2-]C.[Fe].[c-]1[c-][c-][cH-][c-]1.c1ccc([PH+](c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C18H15P.C5H.C2H5.CO.Fe/c1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-2-4-5-3-1;2*1-2;/h1-15H;1H;1H2,2H3;;/q;-5;-1;;/p+1
InChIKeyMREXSTIUBAYAIS-UHFFFAOYSA-O
MW437.28 g/mol
LogP4.58
Rot. Bonds3

About carbon monoxide;cyclopenta-1,3-diene;ethane;iron;triphenylphosphanium

carbon monoxide;cyclopenta-1,3-diene;ethane;iron;triphenylphosphanium (PubChem CID 6392354) has the molecular formula C26H22FeOP-5 and a molecular weight of 437.28 g/mol. Its IUPAC name is carbon monoxide;cyclopenta-1,3-diene;ethane;iron;triphenylphosphanium.

Molecular Properties

Compound Namecarbon monoxide;cyclopenta-1,3-diene;ethane;iron;triphenylphosphanium
PubChem CID6392354
Molecular FormulaC26H22FeOP-5
Molecular Weight437.28 g/mol
Exact Mass437.08
IUPAC Namecarbon monoxide;cyclopenta-1,3-diene;ethane;iron;triphenylphosphanium
SMILES[C-]#[O+].[CH2-]C.[Fe].[c-]1[c-][c-][cH-][c-]1.c1ccc([PH+](c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C18H15P.C5H.C2H5.CO.Fe/c1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-2-4-5-3-1;2*1-2;/h1-15H;1H;1H2,2H3;;/q;-5;-1;;/p+1
InChIKeyMREXSTIUBAYAIS-UHFFFAOYSA-O
XLogP4.58
TPSA19.90 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.28
LogP ≤ 54.58
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;cyclopenta-1,3-diene;ethane;iron;triphenylphosphanium?
The IUPAC name of carbon monoxide;cyclopenta-1,3-diene;ethane;iron;triphenylphosphanium (CID 6392354) is carbon monoxide;cyclopenta-1,3-diene;ethane;iron;triphenylphosphanium.
What is the SMILES notation for carbon monoxide;cyclopenta-1,3-diene;ethane;iron;triphenylphosphanium?
The canonical SMILES for carbon monoxide;cyclopenta-1,3-diene;ethane;iron;triphenylphosphanium is [C-]#[O+].[CH2-]C.[Fe].[c-]1[c-][c-][cH-][c-]1.c1ccc([PH+](c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of carbon monoxide;cyclopenta-1,3-diene;ethane;iron;triphenylphosphanium?
The InChIKey is MREXSTIUBAYAIS-UHFFFAOYSA-O. The full InChI is InChI=1S/C18H15P.C5H.C2H5.CO.Fe/c1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-2-4-5-3-1;2*1-2;/h1-15H;1H;1H2,2H3;;/q;-5;-1;;/p+1.
What are the key properties of carbon monoxide;cyclopenta-1,3-diene;ethane;iron;triphenylphosphanium?
carbon monoxide;cyclopenta-1,3-diene;ethane;iron;triphenylphosphanium has a molecular weight of 437.28 g/mol, XLogP of 4.58, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for carbon monoxide;cyclopenta-1,3-diene;ethane;iron;triphenylphosphanium is sourced from PubChem (CID 6392354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).