iron(2+);bis(triphenyl-[(triphenyl-λ5-phosphanylidene)amino]phosphanium);tetranitrate

C72H60FeN6O12P4 — CID 139138286

IUPACiron(2+);bis(triphenyl-[(triphenyl-λ5-phosphanylidene)amino]phosphanium);tetranitrate
SMILESO=[N+]([O-])[O-].O=[N+]([O-])[O-].O=[N+]([O-])[O-].O=[N+]([O-])[O-].[Fe+2].c1ccc(P(=N[P+](c2ccccc2)(c2ccccc2)c2ccccc2)(c2ccccc2)c2ccccc2)cc1.c1ccc(P(=N[P+](c2ccccc2)(c2ccccc2)c2ccccc2)(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/2C36H30NP2.Fe.4NO3/c2*1-7-19-31(20-8-1)38(32-21-9-2-10-22-32,33-23-11-3-12-24-33)37-39(34-25-13-4-14-26-34,35-27-15-5-16-28-35)36-29-17-6-18-30-36;;4*2-1(3)4/h2*1-30H;;;;;/q2*+1;+2;4*-1
InChIKeyYQONZDHTACQCMM-UHFFFAOYSA-N
MW1381.04 g/mol
LogP13.19
Rot. Bonds14

About iron(2+);bis(triphenyl-[(triphenyl-λ5-phosphanylidene)amino]phosphanium);tetranitrate

iron(2+);bis(triphenyl-[(triphenyl-λ5-phosphanylidene)amino]phosphanium);tetranitrate (PubChem CID 139138286) has the molecular formula C72H60FeN6O12P4 and a molecular weight of 1381.04 g/mol. Its IUPAC name is iron(2+);bis(triphenyl-[(triphenyl-λ5-phosphanylidene)amino]phosphanium);tetranitrate.

Molecular Properties

Compound Nameiron(2+);bis(triphenyl-[(triphenyl-λ5-phosphanylidene)amino]phosphanium);tetranitrate
PubChem CID139138286
Molecular FormulaC72H60FeN6O12P4
Molecular Weight1381.04 g/mol
Exact Mass1380.26
IUPAC Nameiron(2+);bis(triphenyl-[(triphenyl-λ5-phosphanylidene)amino]phosphanium);tetranitrate
SMILESO=[N+]([O-])[O-].O=[N+]([O-])[O-].O=[N+]([O-])[O-].O=[N+]([O-])[O-].[Fe+2].c1ccc(P(=N[P+](c2ccccc2)(c2ccccc2)c2ccccc2)(c2ccccc2)c2ccccc2)cc1.c1ccc(P(=N[P+](c2ccccc2)(c2ccccc2)c2ccccc2)(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/2C36H30NP2.Fe.4NO3/c2*1-7-19-31(20-8-1)38(32-21-9-2-10-22-32,33-23-11-3-12-24-33)37-39(34-25-13-4-14-26-34,35-27-15-5-16-28-35)36-29-17-6-18-30-36;;4*2-1(3)4/h2*1-30H;;;;;/q2*+1;+2;4*-1
InChIKeyYQONZDHTACQCMM-UHFFFAOYSA-N
XLogP13.19
TPSA289.52 Ų
H-Bond Donors
H-Bond Acceptors14
Rotatable Bonds14
Heavy Atoms95
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001381.04
LogP ≤ 513.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1014

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

CID 139138288
CID 139138288
CID 139138291
CID 139138291
bis(tetrafluoro(methyl)silanuide);bis(triphenyl-[(triphenyl-λ5-phosphanylidene)amino]phosphanium)
CID 139163376
1,1,1,5,5,5-Hexaphenyl-3-[(triphenyl-lambda~5~-phosphanylidene)amino]-2,4-diaza-1lambda~5~,5lambda~5~-diphospha-3-silapenta-1,4-diene
CID 78061620
CID 139115223
CID 139115223
2-[(triphenyl-λ5-phosphanylidene)amino]propanoic acid
CID 134884381
silver;tetrakis(triphenylphosphane);nitrate
CID 71599537
bis(oxygen(2-));3-triphenylphosphaniumylpropanoate;uranium;dinitrate
CID 139068755
tetradecakis(oxygen(2-));rhenium;tetrakis(tetraphenylphosphanium)
CID 139134309
ethyl 2-[(triphenyl-λ5-phosphanylidene)amino]propanoate
CID 10643311
(4-nitrophenyl)-triphenylphosphanium chloride
CID 19371264
(4-nitrophenyl)-diphenyl-sulfanylidene-λ5-phosphane
CID 71366671

Frequently Asked Questions

What is the IUPAC name of iron(2+);bis(triphenyl-[(triphenyl-λ5-phosphanylidene)amino]phosphanium);tetranitrate?
The IUPAC name of iron(2+);bis(triphenyl-[(triphenyl-λ5-phosphanylidene)amino]phosphanium);tetranitrate (CID 139138286) is iron(2+);bis(triphenyl-[(triphenyl-λ5-phosphanylidene)amino]phosphanium);tetranitrate.
What is the SMILES notation for iron(2+);bis(triphenyl-[(triphenyl-λ5-phosphanylidene)amino]phosphanium);tetranitrate?
The canonical SMILES for iron(2+);bis(triphenyl-[(triphenyl-λ5-phosphanylidene)amino]phosphanium);tetranitrate is O=[N+]([O-])[O-].O=[N+]([O-])[O-].O=[N+]([O-])[O-].O=[N+]([O-])[O-].[Fe+2].c1ccc(P(=N[P+](c2ccccc2)(c2ccccc2)c2ccccc2)(c2ccccc2)c2ccccc2)cc1.c1ccc(P(=N[P+](c2ccccc2)(c2ccccc2)c2ccccc2)(c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of iron(2+);bis(triphenyl-[(triphenyl-λ5-phosphanylidene)amino]phosphanium);tetranitrate?
The InChIKey is YQONZDHTACQCMM-UHFFFAOYSA-N. The full InChI is InChI=1S/2C36H30NP2.Fe.4NO3/c2*1-7-19-31(20-8-1)38(32-21-9-2-10-22-32,33-23-11-3-12-24-33)37-39(34-25-13-4-14-26-34,35-27-15-5-16-28-35)36-29-17-6-18-30-36;;4*2-1(3)4/h2*1-30H;;;;;/q2*+1;+2;4*-1.
What are the key properties of iron(2+);bis(triphenyl-[(triphenyl-λ5-phosphanylidene)amino]phosphanium);tetranitrate?
iron(2+);bis(triphenyl-[(triphenyl-λ5-phosphanylidene)amino]phosphanium);tetranitrate has a molecular weight of 1381.04 g/mol, XLogP of 13.19, 14 rotatable bonds, 0 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for iron(2+);bis(triphenyl-[(triphenyl-λ5-phosphanylidene)amino]phosphanium);tetranitrate is sourced from PubChem (CID 139138286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).