2-di(propan-2-yl)phosphaniumylethyl-di(propan-2-yl)phosphanium;iron(5+);1,2,3,4,5-pentamethylcyclopenta-1,3-diene

C24H49FeP2+6 — CID 11987336

IUPAC2-di(propan-2-yl)phosphaniumylethyl-di(propan-2-yl)phosphanium;iron(5+);1,2,3,4,5-pentamethylcyclopenta-1,3-diene
SMILESCC(C)[PH+](CC[PH+](C(C)C)C(C)C)C(C)C.Cc1c(C)c(C)[c-](C)c1C.[Fe+5]
InChIInChI=1S/C14H32P2.C10H15.Fe/c1-11(2)15(12(3)4)9-10-16(13(5)6)14(7)8;1-6-7(2)9(4)10(5)8(6)3;/h11-14H,9-10H2,1-8H3;1-5H3;/q;-1;+5/p+2
InChIKeyAAYHCLCVQGIFHJ-UHFFFAOYSA-P
MW455.45 g/mol
LogP7.99
Rot. Bonds7

About 2-di(propan-2-yl)phosphaniumylethyl-di(propan-2-yl)phosphanium;iron(5+);1,2,3,4,5-pentamethylcyclopenta-1,3-diene

2-di(propan-2-yl)phosphaniumylethyl-di(propan-2-yl)phosphanium;iron(5+);1,2,3,4,5-pentamethylcyclopenta-1,3-diene (PubChem CID 11987336) has the molecular formula C24H49FeP2+6 and a molecular weight of 455.45 g/mol. Its IUPAC name is 2-di(propan-2-yl)phosphaniumylethyl-di(propan-2-yl)phosphanium;iron(5+);1,2,3,4,5-pentamethylcyclopenta-1,3-diene.

Molecular Properties

Compound Name2-di(propan-2-yl)phosphaniumylethyl-di(propan-2-yl)phosphanium;iron(5+);1,2,3,4,5-pentamethylcyclopenta-1,3-diene
PubChem CID11987336
Molecular FormulaC24H49FeP2+6
Molecular Weight455.45 g/mol
Exact Mass455.26
IUPAC Name2-di(propan-2-yl)phosphaniumylethyl-di(propan-2-yl)phosphanium;iron(5+);1,2,3,4,5-pentamethylcyclopenta-1,3-diene
SMILESCC(C)[PH+](CC[PH+](C(C)C)C(C)C)C(C)C.Cc1c(C)c(C)[c-](C)c1C.[Fe+5]
InChIInChI=1S/C14H32P2.C10H15.Fe/c1-11(2)15(12(3)4)9-10-16(13(5)6)14(7)8;1-6-7(2)9(4)10(5)8(6)3;/h11-14H,9-10H2,1-8H3;1-5H3;/q;-1;+5/p+2
InChIKeyAAYHCLCVQGIFHJ-UHFFFAOYSA-P
XLogP7.99
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500455.45
LogP ≤ 57.99
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 2-di(propan-2-yl)phosphaniumylethyl-di(propan-2-yl)phosphanium;iron(5+);1,2,3,4,5-pentamethylcyclopenta-1,3-diene?
The IUPAC name of 2-di(propan-2-yl)phosphaniumylethyl-di(propan-2-yl)phosphanium;iron(5+);1,2,3,4,5-pentamethylcyclopenta-1,3-diene (CID 11987336) is 2-di(propan-2-yl)phosphaniumylethyl-di(propan-2-yl)phosphanium;iron(5+);1,2,3,4,5-pentamethylcyclopenta-1,3-diene.
What is the SMILES notation for 2-di(propan-2-yl)phosphaniumylethyl-di(propan-2-yl)phosphanium;iron(5+);1,2,3,4,5-pentamethylcyclopenta-1,3-diene?
The canonical SMILES for 2-di(propan-2-yl)phosphaniumylethyl-di(propan-2-yl)phosphanium;iron(5+);1,2,3,4,5-pentamethylcyclopenta-1,3-diene is CC(C)[PH+](CC[PH+](C(C)C)C(C)C)C(C)C.Cc1c(C)c(C)[c-](C)c1C.[Fe+5].
What is the InChIKey of 2-di(propan-2-yl)phosphaniumylethyl-di(propan-2-yl)phosphanium;iron(5+);1,2,3,4,5-pentamethylcyclopenta-1,3-diene?
The InChIKey is AAYHCLCVQGIFHJ-UHFFFAOYSA-P. The full InChI is InChI=1S/C14H32P2.C10H15.Fe/c1-11(2)15(12(3)4)9-10-16(13(5)6)14(7)8;1-6-7(2)9(4)10(5)8(6)3;/h11-14H,9-10H2,1-8H3;1-5H3;/q;-1;+5/p+2.
What are the key properties of 2-di(propan-2-yl)phosphaniumylethyl-di(propan-2-yl)phosphanium;iron(5+);1,2,3,4,5-pentamethylcyclopenta-1,3-diene?
2-di(propan-2-yl)phosphaniumylethyl-di(propan-2-yl)phosphanium;iron(5+);1,2,3,4,5-pentamethylcyclopenta-1,3-diene has a molecular weight of 455.45 g/mol, XLogP of 7.99, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-di(propan-2-yl)phosphaniumylethyl-di(propan-2-yl)phosphanium;iron(5+);1,2,3,4,5-pentamethylcyclopenta-1,3-diene is sourced from PubChem (CID 11987336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).