triphenyl(tetradecyl)azanium iodide

C32H44IN — CID 69306289

IUPACtriphenyl(tetradecyl)azanium iodide
SMILESCCCCCCCCCCCCCC[N+](c1ccccc1)(c1ccccc1)c1ccccc1.[I-]
InChIInChI=1S/C32H44N.HI/c1-2-3-4-5-6-7-8-9-10-11-12-22-29-33(30-23-16-13-17-24-30,31-25-18-14-19-26-31)32-27-20-15-21-28-32;/h13-21,23-28H,2-12,22,29H2,1H3;1H/q+1;/p-1
InChIKeyLWCFJKKTJOPEGV-UHFFFAOYSA-M
MW569.62 g/mol
LogP7.36
Rot. Bonds16

About triphenyl(tetradecyl)azanium iodide

triphenyl(tetradecyl)azanium iodide (PubChem CID 69306289) has the molecular formula C32H44IN and a molecular weight of 569.62 g/mol. Its IUPAC name is triphenyl(tetradecyl)azanium iodide.

Molecular Properties

Compound Nametriphenyl(tetradecyl)azanium iodide
PubChem CID69306289
Molecular FormulaC32H44IN
Molecular Weight569.62 g/mol
Exact Mass569.25
IUPAC Nametriphenyl(tetradecyl)azanium iodide
SMILESCCCCCCCCCCCCCC[N+](c1ccccc1)(c1ccccc1)c1ccccc1.[I-]
InChIInChI=1S/C32H44N.HI/c1-2-3-4-5-6-7-8-9-10-11-12-22-29-33(30-23-16-13-17-24-30,31-25-18-14-19-26-31)32-27-20-15-21-28-32;/h13-21,23-28H,2-12,22,29H2,1H3;1H/q+1;/p-1
InChIKeyLWCFJKKTJOPEGV-UHFFFAOYSA-M
XLogP7.36
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds16
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500569.62
LogP ≤ 57.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

decyl(triphenyl)azanium iodide
CID 69306188
triphenyl(undecyl)azanium
CID 69395784
octadecyl(triphenyl)azanium bromide
CID 69305421
dihexyl(diphenyl)azanium iodide
CID 69305411
diheptyl(diphenyl)azanium iodide
CID 69308025
diethyl-octyl-phenylazanium iodide
CID 175060834
dihexyl(diphenyl)azanium
CID 18362526
diethyl-heptadecyl-phenylazanium
CID 163210934
methyl-phenyl-di(tridecyl)azanium
CID 90292596
heptyl-nonyl-diphenylazanium hydroxide
CID 175510166
diethyl-hexadecyl-phenylazanium bromide
CID 163210930
dimethyl-octyl-phenylazanium
CID 54404840

Frequently Asked Questions

What is the IUPAC name of triphenyl(tetradecyl)azanium iodide?
The IUPAC name of triphenyl(tetradecyl)azanium iodide (CID 69306289) is triphenyl(tetradecyl)azanium iodide.
What is the SMILES notation for triphenyl(tetradecyl)azanium iodide?
The canonical SMILES for triphenyl(tetradecyl)azanium iodide is CCCCCCCCCCCCCC[N+](c1ccccc1)(c1ccccc1)c1ccccc1.[I-].
What is the InChIKey of triphenyl(tetradecyl)azanium iodide?
The InChIKey is LWCFJKKTJOPEGV-UHFFFAOYSA-M. The full InChI is InChI=1S/C32H44N.HI/c1-2-3-4-5-6-7-8-9-10-11-12-22-29-33(30-23-16-13-17-24-30,31-25-18-14-19-26-31)32-27-20-15-21-28-32;/h13-21,23-28H,2-12,22,29H2,1H3;1H/q+1;/p-1.
What are the key properties of triphenyl(tetradecyl)azanium iodide?
triphenyl(tetradecyl)azanium iodide has a molecular weight of 569.62 g/mol, XLogP of 7.36, 16 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for triphenyl(tetradecyl)azanium iodide is sourced from PubChem (CID 69306289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).