dioxido-oxo-phenyl-λ5-phosphane;iron;nickel(2+)

C6H5FeNiO3P — CID 175055456

IUPACdioxido-oxo-phenyl-λ5-phosphane;iron;nickel(2+)
SMILESO=P([O-])([O-])c1ccccc1.[Fe].[Ni+2]
InChIInChI=1S/C6H7O3P.Fe.Ni/c7-10(8,9)6-4-2-1-3-5-6;;/h1-5H,(H2,7,8,9);;/q;;+2/p-2
InChIKeyNKRHMEUHRJCLJI-UHFFFAOYSA-L
MW270.62 g/mol
LogP-0.78
Rot. Bonds1

About dioxido-oxo-phenyl-λ5-phosphane;iron;nickel(2+)

dioxido-oxo-phenyl-λ5-phosphane;iron;nickel(2+) (PubChem CID 175055456) has the molecular formula C6H5FeNiO3P and a molecular weight of 270.62 g/mol. Its IUPAC name is dioxido-oxo-phenyl-λ5-phosphane;iron;nickel(2+).

Molecular Properties

Compound Namedioxido-oxo-phenyl-λ5-phosphane;iron;nickel(2+)
PubChem CID175055456
Molecular FormulaC6H5FeNiO3P
Molecular Weight270.62 g/mol
Exact Mass269.87
IUPAC Namedioxido-oxo-phenyl-λ5-phosphane;iron;nickel(2+)
SMILESO=P([O-])([O-])c1ccccc1.[Fe].[Ni+2]
InChIInChI=1S/C6H7O3P.Fe.Ni/c7-10(8,9)6-4-2-1-3-5-6;;/h1-5H,(H2,7,8,9);;/q;;+2/p-2
InChIKeyNKRHMEUHRJCLJI-UHFFFAOYSA-L
XLogP-0.78
TPSA63.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.62
LogP ≤ 5-0.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

copper dioxido-oxo-phenyl-λ5-phosphane
CID 68627267
calcium;dioxido-oxo-phenyl-λ5-phosphane;hydrate
CID 66599094
lithium diphenylphosphinate
CID 23680317
dioxido-oxo-phenyl-λ5-phosphane;bis(tetrabutylazanium)
CID 66628068
diphenylphosphorylbenzene;terbium
CID 86595283
potassium methoxy(phenyl)phosphinate
CID 141246459
1,1'-biphenyl;neodymium(3+);phosphate
CID 87071793
diphenylphosphorylazanide
CID 18705552
oxido-diphenyl-sulfanylidene-λ5-phosphane
CID 3382215
sodium phenoxy(phenyl)phosphinate
CID 161254659
dimagnesium;(4-methylphenyl)-dioxido-oxo-λ5-phosphane;dichloride
CID 153434059
[chloro(phenyl)phosphoryl]benzene;phosphoryl trichloride
CID 174876703

Frequently Asked Questions

What is the IUPAC name of dioxido-oxo-phenyl-λ5-phosphane;iron;nickel(2+)?
The IUPAC name of dioxido-oxo-phenyl-λ5-phosphane;iron;nickel(2+) (CID 175055456) is dioxido-oxo-phenyl-λ5-phosphane;iron;nickel(2+).
What is the SMILES notation for dioxido-oxo-phenyl-λ5-phosphane;iron;nickel(2+)?
The canonical SMILES for dioxido-oxo-phenyl-λ5-phosphane;iron;nickel(2+) is O=P([O-])([O-])c1ccccc1.[Fe].[Ni+2].
What is the InChIKey of dioxido-oxo-phenyl-λ5-phosphane;iron;nickel(2+)?
The InChIKey is NKRHMEUHRJCLJI-UHFFFAOYSA-L. The full InChI is InChI=1S/C6H7O3P.Fe.Ni/c7-10(8,9)6-4-2-1-3-5-6;;/h1-5H,(H2,7,8,9);;/q;;+2/p-2.
What are the key properties of dioxido-oxo-phenyl-λ5-phosphane;iron;nickel(2+)?
dioxido-oxo-phenyl-λ5-phosphane;iron;nickel(2+) has a molecular weight of 270.62 g/mol, XLogP of -0.78, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for dioxido-oxo-phenyl-λ5-phosphane;iron;nickel(2+) is sourced from PubChem (CID 175055456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).