oxomethylideneiron;triphenylphosphane

C19H15FeOP — CID 174701658

IUPACoxomethylideneiron;triphenylphosphane
SMILESO=C=[Fe].c1ccc(P(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C18H15P.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;/h1-15H;;
InChIKeyUSKDARVJKFOJAY-UHFFFAOYSA-N
MW346.15 g/mol
LogP3.05
Rot. Bonds3

About oxomethylideneiron;triphenylphosphane

oxomethylideneiron;triphenylphosphane (PubChem CID 174701658) has the molecular formula C19H15FeOP and a molecular weight of 346.15 g/mol. Its IUPAC name is oxomethylideneiron;triphenylphosphane.

Molecular Properties

Compound Nameoxomethylideneiron;triphenylphosphane
PubChem CID174701658
Molecular FormulaC19H15FeOP
Molecular Weight346.15 g/mol
Exact Mass346.02
IUPAC Nameoxomethylideneiron;triphenylphosphane
SMILESO=C=[Fe].c1ccc(P(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C18H15P.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;/h1-15H;;
InChIKeyUSKDARVJKFOJAY-UHFFFAOYSA-N
XLogP3.05
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.15
LogP ≤ 53.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

hydrido(oxomethylidene)rhodium;tris(triphenylphosphane)
CID 157050156
triphenylphosphane
CID 139056248
tris(triphenylphosphane);trihydrochloride
CID 173282987
tris(triphenylphosphane);hydrobromide
CID 172722268
palladium;bis(triphenylphosphane)
CID 10122028
tetrakis(triphenylphosphane);dihydrochloride
CID 172855409
triphenylphosphane;yttrium
CID 139917776
copper monohydride;hexakis(triphenylphosphane)
CID 134992255
silane;triphenylphosphane
CID 161037280
plutonium;triphenylphosphane
CID 161300359
triphenylphosphane;octahydrochloride
CID 172751742
CID 87948921
CID 87948921

Frequently Asked Questions

What is the IUPAC name of oxomethylideneiron;triphenylphosphane?
The IUPAC name of oxomethylideneiron;triphenylphosphane (CID 174701658) is oxomethylideneiron;triphenylphosphane.
What is the SMILES notation for oxomethylideneiron;triphenylphosphane?
The canonical SMILES for oxomethylideneiron;triphenylphosphane is O=C=[Fe].c1ccc(P(c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of oxomethylideneiron;triphenylphosphane?
The InChIKey is USKDARVJKFOJAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15P.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;/h1-15H;;.
What are the key properties of oxomethylideneiron;triphenylphosphane?
oxomethylideneiron;triphenylphosphane has a molecular weight of 346.15 g/mol, XLogP of 3.05, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for oxomethylideneiron;triphenylphosphane is sourced from PubChem (CID 174701658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).