carbon monoxide;cyclopenta-1,3-diene;iron(6+);propane;triphenylphosphanium

C27H28FeOP+5 — CID 172991193

IUPACcarbon monoxide;cyclopenta-1,3-diene;iron(6+);propane;triphenylphosphanium
SMILES[C-]#[O+].[CH2-]CC.[Fe+6].c1cc[cH-]c1.c1ccc([PH+](c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C18H15P.C5H5.C3H7.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;1-3-2;1-2;/h1-15H;1-5H;1,3H2,2H3;;/q;2*-1;;+6/p+1
InChIKeyAWQBWIXNYVNUST-UHFFFAOYSA-O
MW455.34 g/mol
LogP5.77
Rot. Bonds3

About carbon monoxide;cyclopenta-1,3-diene;iron(6+);propane;triphenylphosphanium

carbon monoxide;cyclopenta-1,3-diene;iron(6+);propane;triphenylphosphanium (PubChem CID 172991193) has the molecular formula C27H28FeOP+5 and a molecular weight of 455.34 g/mol. Its IUPAC name is carbon monoxide;cyclopenta-1,3-diene;iron(6+);propane;triphenylphosphanium.

Molecular Properties

Compound Namecarbon monoxide;cyclopenta-1,3-diene;iron(6+);propane;triphenylphosphanium
PubChem CID172991193
Molecular FormulaC27H28FeOP+5
Molecular Weight455.34 g/mol
Exact Mass455.12
IUPAC Namecarbon monoxide;cyclopenta-1,3-diene;iron(6+);propane;triphenylphosphanium
SMILES[C-]#[O+].[CH2-]CC.[Fe+6].c1cc[cH-]c1.c1ccc([PH+](c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C18H15P.C5H5.C3H7.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;1-3-2;1-2;/h1-15H;1-5H;1,3H2,2H3;;/q;2*-1;;+6/p+1
InChIKeyAWQBWIXNYVNUST-UHFFFAOYSA-O
XLogP5.77
TPSA19.90 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500455.34
LogP ≤ 55.77
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;propan-1-one;triphenylphosphanium
CID 42622038
cyclopenta-1,3-diene;iron(6+);bis(methyl(diphenyl)phosphanium);cyanide
CID 11985301
carbon monoxide;molybdenum;bis(triphenylphosphanium)
CID 6327321
chlororuthenium;cyclopenta-1,3-diene;dichloroplatinum;diphenylphosphaniumylmethyl(diphenyl)phosphanium;triphenylphosphanium
CID 42620755
carbon monoxide;cyclopenta-1,3-diene;ethane;iron(6+);triphenylphosphanium
CID 54693497
cyclopenta-1,3-diene;bis(methyl(diphenyl)phosphanium);osmium monohydride
CID 11987429
cyclopenta-1,3-diene;cyclopentane;tetrakis(ethane-1,1-diol);ruthenium;bis(ruthenium(6+));tetrakis(triphenylphosphanium);dicyanide
CID 11985471
cyclopenta-1,3-diene;2-diphenylphosphaniumylethyl(diphenyl)phosphanium;ethene;iron(6+)
CID 11987308
carbon monoxide;cyclopenta-1,3-diene;ethane;iron;triphenylphosphanium
CID 6392354
carbanide;nickel;triphenylphosphanium
CID 87436309
carbon monoxide;cyclopenta-1,3-diene;iron(6+);phenylmethanone
CID 11986665
carbon monoxide;cyclopenta-1,3-diene;diphenyl-(1-phenylethylamino)phosphanium;molybdenum;nitroxyl anion
CID 11987355

Frequently Asked Questions

What is the IUPAC name of carbon monoxide;cyclopenta-1,3-diene;iron(6+);propane;triphenylphosphanium?
The IUPAC name of carbon monoxide;cyclopenta-1,3-diene;iron(6+);propane;triphenylphosphanium (CID 172991193) is carbon monoxide;cyclopenta-1,3-diene;iron(6+);propane;triphenylphosphanium.
What is the SMILES notation for carbon monoxide;cyclopenta-1,3-diene;iron(6+);propane;triphenylphosphanium?
The canonical SMILES for carbon monoxide;cyclopenta-1,3-diene;iron(6+);propane;triphenylphosphanium is [C-]#[O+].[CH2-]CC.[Fe+6].c1cc[cH-]c1.c1ccc([PH+](c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of carbon monoxide;cyclopenta-1,3-diene;iron(6+);propane;triphenylphosphanium?
The InChIKey is AWQBWIXNYVNUST-UHFFFAOYSA-O. The full InChI is InChI=1S/C18H15P.C5H5.C3H7.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;1-3-2;1-2;/h1-15H;1-5H;1,3H2,2H3;;/q;2*-1;;+6/p+1.
What are the key properties of carbon monoxide;cyclopenta-1,3-diene;iron(6+);propane;triphenylphosphanium?
carbon monoxide;cyclopenta-1,3-diene;iron(6+);propane;triphenylphosphanium has a molecular weight of 455.34 g/mol, XLogP of 5.77, 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(6+);propane;triphenylphosphanium is sourced from PubChem (CID 172991193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).