dioxido(oxo)phosphanium;bis(2-phenylethylazanium)

C16H24N2O3P+ — CID 160857650

IUPACdioxido(oxo)phosphanium;bis(2-phenylethylazanium)
SMILESO=[P+]([O-])[O-].[NH3+]CCc1ccccc1.[NH3+]CCc1ccccc1
InChIInChI=1S/2C8H11N.HO3P/c2*9-7-6-8-4-2-1-3-5-8;1-4(2)3/h2*1-5H,6-7,9H2;(H,1,2,3)/p+1
InChIKeyLVKXPZIRTSXCMT-UHFFFAOYSA-O
MW323.35 g/mol
LogP-0.69
Rot. Bonds4

About dioxido(oxo)phosphanium;bis(2-phenylethylazanium)

dioxido(oxo)phosphanium;bis(2-phenylethylazanium) (PubChem CID 160857650) has the molecular formula C16H24N2O3P+ and a molecular weight of 323.35 g/mol. Its IUPAC name is dioxido(oxo)phosphanium;bis(2-phenylethylazanium).

Molecular Properties

Compound Namedioxido(oxo)phosphanium;bis(2-phenylethylazanium)
PubChem CID160857650
Molecular FormulaC16H24N2O3P+
Molecular Weight323.35 g/mol
Exact Mass323.15
IUPAC Namedioxido(oxo)phosphanium;bis(2-phenylethylazanium)
SMILESO=[P+]([O-])[O-].[NH3+]CCc1ccccc1.[NH3+]CCc1ccccc1
InChIInChI=1S/2C8H11N.HO3P/c2*9-7-6-8-4-2-1-3-5-8;1-4(2)3/h2*1-5H,6-7,9H2;(H,1,2,3)/p+1
InChIKeyLVKXPZIRTSXCMT-UHFFFAOYSA-O
XLogP-0.69
TPSA118.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.35
LogP ≤ 5-0.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze dioxido(oxo)phosphanium;bis(2-phenylethylazanium) with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

benzene;2-phenylethylbenzene
CID 18982764
3-phenylpropylazanium acetate
CID 67633985
hafnium;2-phenylethylbenzene
CID 173109801
hydroxy-oxo-(2-phenylethyl)phosphanium;hydrochloride
CID 70471484
2-phenylethanediazonium
CID 19378865
alumane;2-phenylethylbenzene;hydrobromide
CID 173446278
4-phenylbutylbenzene
CID 141301927
disodium bis(oxido-oxo-phenylmethoxyphosphanium)
CID 171808155
(2-phenylethylamino) thiocyanate
CID 174485656
methane;4-phenylbutylbenzene
CID 173386802
1,4-bis(3-phenylpropyl)benzene
CID 59467322
hafnium;4-phenylbutylbenzene
CID 175889972

Frequently Asked Questions

What is the IUPAC name of dioxido(oxo)phosphanium;bis(2-phenylethylazanium)?
The IUPAC name of dioxido(oxo)phosphanium;bis(2-phenylethylazanium) (CID 160857650) is dioxido(oxo)phosphanium;bis(2-phenylethylazanium).
What is the SMILES notation for dioxido(oxo)phosphanium;bis(2-phenylethylazanium)?
The canonical SMILES for dioxido(oxo)phosphanium;bis(2-phenylethylazanium) is O=[P+]([O-])[O-].[NH3+]CCc1ccccc1.[NH3+]CCc1ccccc1.
What is the InChIKey of dioxido(oxo)phosphanium;bis(2-phenylethylazanium)?
The InChIKey is LVKXPZIRTSXCMT-UHFFFAOYSA-O. The full InChI is InChI=1S/2C8H11N.HO3P/c2*9-7-6-8-4-2-1-3-5-8;1-4(2)3/h2*1-5H,6-7,9H2;(H,1,2,3)/p+1.
What are the key properties of dioxido(oxo)phosphanium;bis(2-phenylethylazanium)?
dioxido(oxo)phosphanium;bis(2-phenylethylazanium) has a molecular weight of 323.35 g/mol, XLogP of -0.69, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for dioxido(oxo)phosphanium;bis(2-phenylethylazanium) is sourced from PubChem (CID 160857650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).