carbon monoxide;cyclopenta-1,3-diene;cyclopenta-1,3-diene;iron;manganese;triphenylphosphane

C32H24FeMnO4P-3 — CID 139264308

IUPACcarbon monoxide;cyclopenta-1,3-diene;cyclopenta-1,3-diene;iron;manganese;triphenylphosphane
SMILES[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[Fe].[Mn].[c-]1cc[cH-]c1.c1cc[cH-]c1.c1ccc(P(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C18H15P.C5H5.C5H4.4CO.Fe.Mn/c1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;2*1-2-4-5-3-1;4*1-2;;/h1-15H;1-5H;1-4H;;;;;;/q;-1;-2;;;;;;
InChIKeyFDCFCWNDMPILMF-UHFFFAOYSA-N
MW614.30 g/mol
LogP5.90
Rot. Bonds3

About carbon monoxide;cyclopenta-1,3-diene;cyclopenta-1,3-diene;iron;manganese;triphenylphosphane

carbon monoxide;cyclopenta-1,3-diene;cyclopenta-1,3-diene;iron;manganese;triphenylphosphane (PubChem CID 139264308) has the molecular formula C32H24FeMnO4P-3 and a molecular weight of 614.30 g/mol. Its IUPAC name is carbon monoxide;cyclopenta-1,3-diene;cyclopenta-1,3-diene;iron;manganese;triphenylphosphane.

Molecular Properties

Compound Namecarbon monoxide;cyclopenta-1,3-diene;cyclopenta-1,3-diene;iron;manganese;triphenylphosphane
PubChem CID139264308
Molecular FormulaC32H24FeMnO4P-3
Molecular Weight614.30 g/mol
Exact Mass614.02
IUPAC Namecarbon monoxide;cyclopenta-1,3-diene;cyclopenta-1,3-diene;iron;manganese;triphenylphosphane
SMILES[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[Fe].[Mn].[c-]1cc[cH-]c1.c1cc[cH-]c1.c1ccc(P(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C18H15P.C5H5.C5H4.4CO.Fe.Mn/c1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;2*1-2-4-5-3-1;4*1-2;;/h1-15H;1-5H;1-4H;;;;;;/q;-1;-2;;;;;;
InChIKeyFDCFCWNDMPILMF-UHFFFAOYSA-N
XLogP5.90
TPSA79.60 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500614.30
LogP ≤ 55.90
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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Related Compounds

carbon monoxide;cyclopenta-1,3-diene;iron;manganese;phenylphosphane;triphenylphosphane
CID 139264482
carbon monoxide;iridium;bis(triphenylphosphane);hydrate
CID 10963762
carbon monoxide;cyclopenta-1,3-diene;prop-1-enylidenemanganese;triphenylphosphane
CID 139264364
carbon monoxide;rhenium;triphenylphosphane
CID 139109889
carbon monoxide;iridium;bis(triphenylphosphane);iodide
CID 45279236
carbon monoxide;platinum;sulfanide;tris(triphenylphosphane)
CID 10931243
carbon monoxide;iridium;bis(triphenylphosphane);dibromide
CID 155883167
carbon monoxide;platinum;sulfanide;bis(triphenylphosphane)
CID 10931102
carbon monoxide;ruthenium(1+);bis(triphenylphosphane);dihydrochloride
CID 170843767
iron dihydride;tetrakis(triphenylphosphane)
CID 172730134
stibane;triphenylphosphane;hexahydrofluoride
CID 174582566
triphenylphosphane
CID 139056248

Frequently Asked Questions

What is the IUPAC name of carbon monoxide;cyclopenta-1,3-diene;cyclopenta-1,3-diene;iron;manganese;triphenylphosphane?
The IUPAC name of carbon monoxide;cyclopenta-1,3-diene;cyclopenta-1,3-diene;iron;manganese;triphenylphosphane (CID 139264308) is carbon monoxide;cyclopenta-1,3-diene;cyclopenta-1,3-diene;iron;manganese;triphenylphosphane.
What is the SMILES notation for carbon monoxide;cyclopenta-1,3-diene;cyclopenta-1,3-diene;iron;manganese;triphenylphosphane?
The canonical SMILES for carbon monoxide;cyclopenta-1,3-diene;cyclopenta-1,3-diene;iron;manganese;triphenylphosphane is [C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[Fe].[Mn].[c-]1cc[cH-]c1.c1cc[cH-]c1.c1ccc(P(c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of carbon monoxide;cyclopenta-1,3-diene;cyclopenta-1,3-diene;iron;manganese;triphenylphosphane?
The InChIKey is FDCFCWNDMPILMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15P.C5H5.C5H4.4CO.Fe.Mn/c1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;2*1-2-4-5-3-1;4*1-2;;/h1-15H;1-5H;1-4H;;;;;;/q;-1;-2;;;;;;.
What are the key properties of carbon monoxide;cyclopenta-1,3-diene;cyclopenta-1,3-diene;iron;manganese;triphenylphosphane?
carbon monoxide;cyclopenta-1,3-diene;cyclopenta-1,3-diene;iron;manganese;triphenylphosphane has a molecular weight of 614.30 g/mol, XLogP of 5.90, 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;cyclopenta-1,3-diene;iron;manganese;triphenylphosphane is sourced from PubChem (CID 139264308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).