cyclopenta-1,3-diene;iron(6+);bis(methyl(diphenyl)phosphanium);cyanide

C32H33FeNP2+6 — CID 11985301

IUPACcyclopenta-1,3-diene;iron(6+);bis(methyl(diphenyl)phosphanium);cyanide
SMILESC[PH+](c1ccccc1)c1ccccc1.C[PH+](c1ccccc1)c1ccccc1.[C-]#N.[Fe+6].c1cc[cH-]c1
InChIInChI=1S/2C13H13P.C5H5.CN.Fe/c2*1-14(12-8-4-2-5-9-12)13-10-6-3-7-11-13;1-2-4-5-3-1;1-2;/h2*2-11H,1H3;1-5H;;/q;;2*-1;+6/p+2
InChIKeyKXNIHQYYOQZNSK-UHFFFAOYSA-P
MW549.42 g/mol
LogP6.46
Rot. Bonds4

About cyclopenta-1,3-diene;iron(6+);bis(methyl(diphenyl)phosphanium);cyanide

cyclopenta-1,3-diene;iron(6+);bis(methyl(diphenyl)phosphanium);cyanide (PubChem CID 11985301) has the molecular formula C32H33FeNP2+6 and a molecular weight of 549.42 g/mol. Its IUPAC name is cyclopenta-1,3-diene;iron(6+);bis(methyl(diphenyl)phosphanium);cyanide.

Molecular Properties

Compound Namecyclopenta-1,3-diene;iron(6+);bis(methyl(diphenyl)phosphanium);cyanide
PubChem CID11985301
Molecular FormulaC32H33FeNP2+6
Molecular Weight549.42 g/mol
Exact Mass549.14
IUPAC Namecyclopenta-1,3-diene;iron(6+);bis(methyl(diphenyl)phosphanium);cyanide
SMILESC[PH+](c1ccccc1)c1ccccc1.C[PH+](c1ccccc1)c1ccccc1.[C-]#N.[Fe+6].c1cc[cH-]c1
InChIInChI=1S/2C13H13P.C5H5.CN.Fe/c2*1-14(12-8-4-2-5-9-12)13-10-6-3-7-11-13;1-2-4-5-3-1;1-2;/h2*2-11H,1H3;1-5H;;/q;;2*-1;+6/p+2
InChIKeyKXNIHQYYOQZNSK-UHFFFAOYSA-P
XLogP6.46
TPSA23.79 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500549.42
LogP ≤ 56.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

cyclopenta-1,3-diene;bis(methyl(diphenyl)phosphanium);osmium monohydride
CID 11987429
carbanide;gold(3+);methyl(diphenyl)phosphanium
CID 6327558
cyclopenta-1,3-diene;cyclopentane;tetrakis(ethane-1,1-diol);ruthenium;bis(ruthenium(6+));tetrakis(triphenylphosphanium);dicyanide
CID 11985471
carbon monoxide;cyclopenta-1,3-diene;iron(6+);propane;triphenylphosphanium
CID 172991193
bis(methyl(diphenyl)phosphanium);trichlorovanadium
CID 140811308
cyclopenta-1,3-diene;2-diphenylphosphaniumylethyl(diphenyl)phosphanium;ethene;iron(6+)
CID 11987308
carbon monoxide;cyclopenta-1,3-diene;iron;propan-1-one;triphenylphosphanium
CID 42622038
dimethyl(phenyl)phosphanium
CID 23415341
cyclopenta-1,3-diene;cyclopentane;bis(2-diphenylphosphaniumylethyl(diphenyl)phosphanium);bis(2-[2-[(2-hydroxyphenyl)methylideneamino]ethyliminomethyl]phenol);iron;bis(iron(6+));dicyanide
CID 135534793
carbon monoxide;cyclopenta-1,3-diene;diphenyl-(1-phenylethylamino)phosphanium;molybdenum;nitroxyl anion
CID 11987355
CID 161097193
CID 161097193
azanylidyneoxidanium;cyclopenta-1,3-diene;rhenium;triphenylphosphanium;benzoate
CID 24892927

Frequently Asked Questions

What is the IUPAC name of cyclopenta-1,3-diene;iron(6+);bis(methyl(diphenyl)phosphanium);cyanide?
The IUPAC name of cyclopenta-1,3-diene;iron(6+);bis(methyl(diphenyl)phosphanium);cyanide (CID 11985301) is cyclopenta-1,3-diene;iron(6+);bis(methyl(diphenyl)phosphanium);cyanide.
What is the SMILES notation for cyclopenta-1,3-diene;iron(6+);bis(methyl(diphenyl)phosphanium);cyanide?
The canonical SMILES for cyclopenta-1,3-diene;iron(6+);bis(methyl(diphenyl)phosphanium);cyanide is C[PH+](c1ccccc1)c1ccccc1.C[PH+](c1ccccc1)c1ccccc1.[C-]#N.[Fe+6].c1cc[cH-]c1.
What is the InChIKey of cyclopenta-1,3-diene;iron(6+);bis(methyl(diphenyl)phosphanium);cyanide?
The InChIKey is KXNIHQYYOQZNSK-UHFFFAOYSA-P. The full InChI is InChI=1S/2C13H13P.C5H5.CN.Fe/c2*1-14(12-8-4-2-5-9-12)13-10-6-3-7-11-13;1-2-4-5-3-1;1-2;/h2*2-11H,1H3;1-5H;;/q;;2*-1;+6/p+2.
What are the key properties of cyclopenta-1,3-diene;iron(6+);bis(methyl(diphenyl)phosphanium);cyanide?
cyclopenta-1,3-diene;iron(6+);bis(methyl(diphenyl)phosphanium);cyanide has a molecular weight of 549.42 g/mol, XLogP of 6.46, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopenta-1,3-diene;iron(6+);bis(methyl(diphenyl)phosphanium);cyanide is sourced from PubChem (CID 11985301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).