iodo-(triphenyl-λ5-phosphanylidene)iron;nitroxyl anion

C18H15FeIN2O2P-2 — CID 50909156

IUPACiodo-(triphenyl-λ5-phosphanylidene)iron;nitroxyl anion
SMILESI[Fe]=P(c1ccccc1)(c1ccccc1)c1ccccc1.[N-]=O.[N-]=O
InChIInChI=1S/C18H15P.Fe.HI.2NO/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/h1-15H;;1H;;/q;+1;;2*-1/p-1
InChIKeyCQWSTMRAIYVJOT-UHFFFAOYSA-M
MW505.05 g/mol
LogP4.97
Rot. Bonds3

About iodo-(triphenyl-λ5-phosphanylidene)iron;nitroxyl anion

iodo-(triphenyl-λ5-phosphanylidene)iron;nitroxyl anion (PubChem CID 50909156) has the molecular formula C18H15FeIN2O2P-2 and a molecular weight of 505.05 g/mol. Its IUPAC name is iodo-(triphenyl-λ5-phosphanylidene)iron;nitroxyl anion.

Molecular Properties

Compound Nameiodo-(triphenyl-λ5-phosphanylidene)iron;nitroxyl anion
PubChem CID50909156
Molecular FormulaC18H15FeIN2O2P-2
Molecular Weight505.05 g/mol
Exact Mass504.93
IUPAC Nameiodo-(triphenyl-λ5-phosphanylidene)iron;nitroxyl anion
SMILESI[Fe]=P(c1ccccc1)(c1ccccc1)c1ccccc1.[N-]=O.[N-]=O
InChIInChI=1S/C18H15P.Fe.HI.2NO/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/h1-15H;;1H;;/q;+1;;2*-1/p-1
InChIKeyCQWSTMRAIYVJOT-UHFFFAOYSA-M
XLogP4.97
TPSA78.74 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500505.05
LogP ≤ 54.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

diiodocobalt;bis(diphenylphosphorylbenzene)
CID 154702808
[[diphenylphosphoryl(iodo)amino]-phenylphosphoryl]benzene
CID 149077573
diphenylphosphorylbenzene;terbium
CID 86595283
chloroiridium(2+);bis((triphenyl-λ5-phosphanylidene)methanone)
CID 88761085
amino(diphenylphosphoryl)azanium
CID 173419244
diphenylphosphorylazanide
CID 18705552
[tert-butyl(methyl)phosphoryl]benzene
CID 12568653
[tert-butyl(methyl)phosphoryl]benzene
CID 12568654
phenyl(trichloromethoxy)phosphinic acid
CID 88763731
phenylphosphonic acid;phosphane
CID 157219344
CID 66766975
CID 66766975
phenylphosphonic acid;terbium
CID 175289814

Frequently Asked Questions

What is the IUPAC name of iodo-(triphenyl-λ5-phosphanylidene)iron;nitroxyl anion?
The IUPAC name of iodo-(triphenyl-λ5-phosphanylidene)iron;nitroxyl anion (CID 50909156) is iodo-(triphenyl-λ5-phosphanylidene)iron;nitroxyl anion.
What is the SMILES notation for iodo-(triphenyl-λ5-phosphanylidene)iron;nitroxyl anion?
The canonical SMILES for iodo-(triphenyl-λ5-phosphanylidene)iron;nitroxyl anion is I[Fe]=P(c1ccccc1)(c1ccccc1)c1ccccc1.[N-]=O.[N-]=O.
What is the InChIKey of iodo-(triphenyl-λ5-phosphanylidene)iron;nitroxyl anion?
The InChIKey is CQWSTMRAIYVJOT-UHFFFAOYSA-M. The full InChI is InChI=1S/C18H15P.Fe.HI.2NO/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/h1-15H;;1H;;/q;+1;;2*-1/p-1.
What are the key properties of iodo-(triphenyl-λ5-phosphanylidene)iron;nitroxyl anion?
iodo-(triphenyl-λ5-phosphanylidene)iron;nitroxyl anion has a molecular weight of 505.05 g/mol, XLogP of 4.97, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for iodo-(triphenyl-λ5-phosphanylidene)iron;nitroxyl anion is sourced from PubChem (CID 50909156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).