triphenyl(undecyl)azanium

C29H38N+ — CID 69395784

IUPACtriphenyl(undecyl)azanium
SMILESCCCCCCCCCCC[N+](c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C29H38N/c1-2-3-4-5-6-7-8-9-19-26-30(27-20-13-10-14-21-27,28-22-15-11-16-23-28)29-24-17-12-18-25-29/h10-18,20-25H,2-9,19,26H2,1H3/q+1
InChIKeyOWXAPEIJRPJUAV-UHFFFAOYSA-N
MW400.63 g/mol
LogP9.19
Rot. Bonds13

About triphenyl(undecyl)azanium

triphenyl(undecyl)azanium (PubChem CID 69395784) has the molecular formula C29H38N+ and a molecular weight of 400.63 g/mol. Its IUPAC name is triphenyl(undecyl)azanium.

Molecular Properties

Compound Nametriphenyl(undecyl)azanium
PubChem CID69395784
Molecular FormulaC29H38N+
Molecular Weight400.63 g/mol
Exact Mass400.30
IUPAC Nametriphenyl(undecyl)azanium
SMILESCCCCCCCCCCC[N+](c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C29H38N/c1-2-3-4-5-6-7-8-9-19-26-30(27-20-13-10-14-21-27,28-22-15-11-16-23-28)29-24-17-12-18-25-29/h10-18,20-25H,2-9,19,26H2,1H3/q+1
InChIKeyOWXAPEIJRPJUAV-UHFFFAOYSA-N
XLogP9.19
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds13
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500400.63
LogP ≤ 59.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Related Compounds

triphenyl(tetradecyl)azanium iodide
CID 69306289
decyl(triphenyl)azanium iodide
CID 69306188
octadecyl(triphenyl)azanium bromide
CID 69305421
dihexyl(diphenyl)azanium
CID 18362526
diheptyl(diphenyl)azanium iodide
CID 69308025
heptyl-nonyl-diphenylazanium hydroxide
CID 175510166
methyl-phenyl-di(tridecyl)azanium
CID 90292596
dihexyl(diphenyl)azanium iodide
CID 69305411
diethyl-hexadecyl-phenylazanium bromide
CID 163210930
diethyl-heptadecyl-phenylazanium
CID 163210934
dimethyl-octyl-phenylazanium
CID 54404840
diethyl-icosyl-phenylazanium bromide
CID 163210919

Frequently Asked Questions

What is the IUPAC name of triphenyl(undecyl)azanium?
The IUPAC name of triphenyl(undecyl)azanium (CID 69395784) is triphenyl(undecyl)azanium.
What is the SMILES notation for triphenyl(undecyl)azanium?
The canonical SMILES for triphenyl(undecyl)azanium is CCCCCCCCCCC[N+](c1ccccc1)(c1ccccc1)c1ccccc1.
What is the InChIKey of triphenyl(undecyl)azanium?
The InChIKey is OWXAPEIJRPJUAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H38N/c1-2-3-4-5-6-7-8-9-19-26-30(27-20-13-10-14-21-27,28-22-15-11-16-23-28)29-24-17-12-18-25-29/h10-18,20-25H,2-9,19,26H2,1H3/q+1.
What are the key properties of triphenyl(undecyl)azanium?
triphenyl(undecyl)azanium has a molecular weight of 400.63 g/mol, XLogP of 9.19, 13 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for triphenyl(undecyl)azanium is sourced from PubChem (CID 69395784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).