cyclopenta-1,3-diene;2-diphenylphosphaniumylethyl(diphenyl)phosphanium;ethene;iron(6+)

C33H34FeP2+6 — CID 11987308

IUPACcyclopenta-1,3-diene;2-diphenylphosphaniumylethyl(diphenyl)phosphanium;ethene;iron(6+)
SMILES[Fe+6].[H][C-]=C.c1cc[cH-]c1.c1ccc([PH+](CC[PH+](c2ccccc2)c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C26H24P2.C5H5.C2H3.Fe/c1-5-13-23(14-6-1)27(24-15-7-2-8-16-24)21-22-28(25-17-9-3-10-18-25)26-19-11-4-12-20-26;1-2-4-5-3-1;1-2;/h1-20H,21-22H2;1-5H;1H,2H2;/q;2*-1;+6/p+2
InChIKeyDWSVXPIHGASFEN-UHFFFAOYSA-P
MW548.43 g/mol
LogP6.73
Rot. Bonds7

About cyclopenta-1,3-diene;2-diphenylphosphaniumylethyl(diphenyl)phosphanium;ethene;iron(6+)

cyclopenta-1,3-diene;2-diphenylphosphaniumylethyl(diphenyl)phosphanium;ethene;iron(6+) (PubChem CID 11987308) has the molecular formula C33H34FeP2+6 and a molecular weight of 548.43 g/mol. Its IUPAC name is cyclopenta-1,3-diene;2-diphenylphosphaniumylethyl(diphenyl)phosphanium;ethene;iron(6+).

Molecular Properties

Compound Namecyclopenta-1,3-diene;2-diphenylphosphaniumylethyl(diphenyl)phosphanium;ethene;iron(6+)
PubChem CID11987308
Molecular FormulaC33H34FeP2+6
Molecular Weight548.43 g/mol
Exact Mass548.15
IUPAC Namecyclopenta-1,3-diene;2-diphenylphosphaniumylethyl(diphenyl)phosphanium;ethene;iron(6+)
SMILES[Fe+6].[H][C-]=C.c1cc[cH-]c1.c1ccc([PH+](CC[PH+](c2ccccc2)c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C26H24P2.C5H5.C2H3.Fe/c1-5-13-23(14-6-1)27(24-15-7-2-8-16-24)21-22-28(25-17-9-3-10-18-25)26-19-11-4-12-20-26;1-2-4-5-3-1;1-2;/h1-20H,21-22H2;1-5H;1H,2H2;/q;2*-1;+6/p+2
InChIKeyDWSVXPIHGASFEN-UHFFFAOYSA-P
XLogP6.73
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500548.43
LogP ≤ 56.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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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Frequently Asked Questions

What is the IUPAC name of cyclopenta-1,3-diene;2-diphenylphosphaniumylethyl(diphenyl)phosphanium;ethene;iron(6+)?
The IUPAC name of cyclopenta-1,3-diene;2-diphenylphosphaniumylethyl(diphenyl)phosphanium;ethene;iron(6+) (CID 11987308) is cyclopenta-1,3-diene;2-diphenylphosphaniumylethyl(diphenyl)phosphanium;ethene;iron(6+).
What is the SMILES notation for cyclopenta-1,3-diene;2-diphenylphosphaniumylethyl(diphenyl)phosphanium;ethene;iron(6+)?
The canonical SMILES for cyclopenta-1,3-diene;2-diphenylphosphaniumylethyl(diphenyl)phosphanium;ethene;iron(6+) is [Fe+6].[H][C-]=C.c1cc[cH-]c1.c1ccc([PH+](CC[PH+](c2ccccc2)c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of cyclopenta-1,3-diene;2-diphenylphosphaniumylethyl(diphenyl)phosphanium;ethene;iron(6+)?
The InChIKey is DWSVXPIHGASFEN-UHFFFAOYSA-P. The full InChI is InChI=1S/C26H24P2.C5H5.C2H3.Fe/c1-5-13-23(14-6-1)27(24-15-7-2-8-16-24)21-22-28(25-17-9-3-10-18-25)26-19-11-4-12-20-26;1-2-4-5-3-1;1-2;/h1-20H,21-22H2;1-5H;1H,2H2;/q;2*-1;+6/p+2.
What are the key properties of cyclopenta-1,3-diene;2-diphenylphosphaniumylethyl(diphenyl)phosphanium;ethene;iron(6+)?
cyclopenta-1,3-diene;2-diphenylphosphaniumylethyl(diphenyl)phosphanium;ethene;iron(6+) has a molecular weight of 548.43 g/mol, XLogP of 6.73, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopenta-1,3-diene;2-diphenylphosphaniumylethyl(diphenyl)phosphanium;ethene;iron(6+) is sourced from PubChem (CID 11987308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).