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

C37H27Fe2MnO8P2- — CID 139264482

IUPACcarbon monoxide;cyclopenta-1,3-diene;iron;manganese;phenylphosphane;triphenylphosphane
SMILESPc1ccccc1.[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[Fe].[Fe].[Mn].c1cc[cH-]c1.c1ccc(P(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C18H15P.C6H7P.C5H5.8CO.2Fe.Mn/c1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;7-6-4-2-1-3-5-6;1-2-4-5-3-1;8*1-2;;;/h1-15H;1-5H,7H2;1-5H;;;;;;;;;;;/q;;-1;;;;;;;;;;;
InChIKeyCUWJWDDJQBUZRB-UHFFFAOYSA-N
MW828.19 g/mol
LogP5.73
Rot. Bonds3

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

carbon monoxide;cyclopenta-1,3-diene;iron;manganese;phenylphosphane;triphenylphosphane (PubChem CID 139264482) has the molecular formula C37H27Fe2MnO8P2- and a molecular weight of 828.19 g/mol. Its IUPAC name is carbon monoxide;cyclopenta-1,3-diene;iron;manganese;phenylphosphane;triphenylphosphane.

Molecular Properties

Compound Namecarbon monoxide;cyclopenta-1,3-diene;iron;manganese;phenylphosphane;triphenylphosphane
PubChem CID139264482
Molecular FormulaC37H27Fe2MnO8P2-
Molecular Weight828.19 g/mol
Exact Mass827.93
IUPAC Namecarbon monoxide;cyclopenta-1,3-diene;iron;manganese;phenylphosphane;triphenylphosphane
SMILESPc1ccccc1.[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[Fe].[Fe].[Mn].c1cc[cH-]c1.c1ccc(P(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C18H15P.C6H7P.C5H5.8CO.2Fe.Mn/c1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;7-6-4-2-1-3-5-6;1-2-4-5-3-1;8*1-2;;;/h1-15H;1-5H,7H2;1-5H;;;;;;;;;;;/q;;-1;;;;;;;;;;;
InChIKeyCUWJWDDJQBUZRB-UHFFFAOYSA-N
XLogP5.73
TPSA159.20 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500828.19
LogP ≤ 55.73
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;cyclopenta-1,3-diene;iron;manganese;triphenylphosphane
CID 139264308
carbon monoxide;cyclopenta-1,3-diene;prop-1-enylidenemanganese;triphenylphosphane
CID 139264364
carbon monoxide;rhenium;triphenylphosphane
CID 139109889
carbon monoxide;iridium;bis(triphenylphosphane);hydrate
CID 10963762
carbon monoxide;iridium;bis(triphenylphosphane);iodide
CID 45279236
carbon monoxide;platinum;sulfanide;tris(triphenylphosphane)
CID 10931243
carbon monoxide;platinum;sulfanide;bis(triphenylphosphane)
CID 10931102
carbon monoxide;iridium;bis(triphenylphosphane);dibromide
CID 155883167
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;iron;manganese;phenylphosphane;triphenylphosphane?
The IUPAC name of carbon monoxide;cyclopenta-1,3-diene;iron;manganese;phenylphosphane;triphenylphosphane (CID 139264482) is carbon monoxide;cyclopenta-1,3-diene;iron;manganese;phenylphosphane;triphenylphosphane.
What is the SMILES notation for carbon monoxide;cyclopenta-1,3-diene;iron;manganese;phenylphosphane;triphenylphosphane?
The canonical SMILES for carbon monoxide;cyclopenta-1,3-diene;iron;manganese;phenylphosphane;triphenylphosphane is Pc1ccccc1.[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[Fe].[Fe].[Mn].c1cc[cH-]c1.c1ccc(P(c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of carbon monoxide;cyclopenta-1,3-diene;iron;manganese;phenylphosphane;triphenylphosphane?
The InChIKey is CUWJWDDJQBUZRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15P.C6H7P.C5H5.8CO.2Fe.Mn/c1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;7-6-4-2-1-3-5-6;1-2-4-5-3-1;8*1-2;;;/h1-15H;1-5H,7H2;1-5H;;;;;;;;;;;/q;;-1;;;;;;;;;;;.
What are the key properties of carbon monoxide;cyclopenta-1,3-diene;iron;manganese;phenylphosphane;triphenylphosphane?
carbon monoxide;cyclopenta-1,3-diene;iron;manganese;phenylphosphane;triphenylphosphane has a molecular weight of 828.19 g/mol, XLogP of 5.73, 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;iron;manganese;phenylphosphane;triphenylphosphane is sourced from PubChem (CID 139264482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).