azane;ethyl(triphenyl)phosphanium;iodide;hydroiodide

C20H24I2NP — CID 174751810

IUPACazane;ethyl(triphenyl)phosphanium;iodide;hydroiodide
SMILESCC[P+](c1ccccc1)(c1ccccc1)c1ccccc1.I.N.[I-]
InChIInChI=1S/C20H20P.2HI.H3N/c1-2-21(18-12-6-3-7-13-18,19-14-8-4-9-15-19)20-16-10-5-11-17-20;;;/h3-17H,2H2,1H3;2*1H;1H3/q+1;;;/p-1
InChIKeyWVRDGGAFYYZIKH-UHFFFAOYSA-M
MW563.20 g/mol
LogP1.78
Rot. Bonds4

About azane;ethyl(triphenyl)phosphanium;iodide;hydroiodide

azane;ethyl(triphenyl)phosphanium;iodide;hydroiodide (PubChem CID 174751810) has the molecular formula C20H24I2NP and a molecular weight of 563.20 g/mol. Its IUPAC name is azane;ethyl(triphenyl)phosphanium;iodide;hydroiodide.

Molecular Properties

Compound Nameazane;ethyl(triphenyl)phosphanium;iodide;hydroiodide
PubChem CID174751810
Molecular FormulaC20H24I2NP
Molecular Weight563.20 g/mol
Exact Mass562.97
IUPAC Nameazane;ethyl(triphenyl)phosphanium;iodide;hydroiodide
SMILESCC[P+](c1ccccc1)(c1ccccc1)c1ccccc1.I.N.[I-]
InChIInChI=1S/C20H20P.2HI.H3N/c1-2-21(18-12-6-3-7-13-18,19-14-8-4-9-15-19)20-16-10-5-11-17-20;;;/h3-17H,2H2,1H3;2*1H;1H3/q+1;;;/p-1
InChIKeyWVRDGGAFYYZIKH-UHFFFAOYSA-M
XLogP1.78
TPSA35.00 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500563.20
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

ethyl(triphenyl)phosphanium;phosphane;iodide;hydroiodide
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CID 172998208
tris(ethyl(triphenyl)phosphanium);phosphite
CID 157236342
bromoethane;ethyl(triphenyl)phosphanium;bromide
CID 174716559
ethyl(triphenyl)phosphanium hexafluorophosphate
CID 22677091
ethyl(triphenyl)phosphanium;trifluorocopper(1-)
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CID 173397747
ethyl-(3-fluorophenyl)-diphenylphosphanium
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CID 22245251

Frequently Asked Questions

What is the IUPAC name of azane;ethyl(triphenyl)phosphanium;iodide;hydroiodide?
The IUPAC name of azane;ethyl(triphenyl)phosphanium;iodide;hydroiodide (CID 174751810) is azane;ethyl(triphenyl)phosphanium;iodide;hydroiodide.
What is the SMILES notation for azane;ethyl(triphenyl)phosphanium;iodide;hydroiodide?
The canonical SMILES for azane;ethyl(triphenyl)phosphanium;iodide;hydroiodide is CC[P+](c1ccccc1)(c1ccccc1)c1ccccc1.I.N.[I-].
What is the InChIKey of azane;ethyl(triphenyl)phosphanium;iodide;hydroiodide?
The InChIKey is WVRDGGAFYYZIKH-UHFFFAOYSA-M. The full InChI is InChI=1S/C20H20P.2HI.H3N/c1-2-21(18-12-6-3-7-13-18,19-14-8-4-9-15-19)20-16-10-5-11-17-20;;;/h3-17H,2H2,1H3;2*1H;1H3/q+1;;;/p-1.
What are the key properties of azane;ethyl(triphenyl)phosphanium;iodide;hydroiodide?
azane;ethyl(triphenyl)phosphanium;iodide;hydroiodide has a molecular weight of 563.20 g/mol, XLogP of 1.78, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for azane;ethyl(triphenyl)phosphanium;iodide;hydroiodide is sourced from PubChem (CID 174751810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).