decyl(triphenyl)azanium iodide

C28H36IN — CID 69306188

IUPACdecyl(triphenyl)azanium iodide
SMILESCCCCCCCCCC[N+](c1ccccc1)(c1ccccc1)c1ccccc1.[I-]
InChIInChI=1S/C28H36N.HI/c1-2-3-4-5-6-7-8-18-25-29(26-19-12-9-13-20-26,27-21-14-10-15-22-27)28-23-16-11-17-24-28;/h9-17,19-24H,2-8,18,25H2,1H3;1H/q+1;/p-1
InChIKeyCFGJJZDHQXQFOW-UHFFFAOYSA-M
MW513.51 g/mol
LogP5.80
Rot. Bonds12

About decyl(triphenyl)azanium iodide

decyl(triphenyl)azanium iodide (PubChem CID 69306188) has the molecular formula C28H36IN and a molecular weight of 513.51 g/mol. Its IUPAC name is decyl(triphenyl)azanium iodide.

Molecular Properties

Compound Namedecyl(triphenyl)azanium iodide
PubChem CID69306188
Molecular FormulaC28H36IN
Molecular Weight513.51 g/mol
Exact Mass513.19
IUPAC Namedecyl(triphenyl)azanium iodide
SMILESCCCCCCCCCC[N+](c1ccccc1)(c1ccccc1)c1ccccc1.[I-]
InChIInChI=1S/C28H36N.HI/c1-2-3-4-5-6-7-8-18-25-29(26-19-12-9-13-20-26,27-21-14-10-15-22-27)28-23-16-11-17-24-28;/h9-17,19-24H,2-8,18,25H2,1H3;1H/q+1;/p-1
InChIKeyCFGJJZDHQXQFOW-UHFFFAOYSA-M
XLogP5.80
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds12
Heavy Atoms30
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500513.51
LogP ≤ 55.80
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

triphenyl(tetradecyl)azanium iodide
CID 69306289
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
heptyl-nonyl-diphenylazanium hydroxide
CID 175510166
methyl-phenyl-di(tridecyl)azanium
CID 90292596
diethyl-hexadecyl-phenylazanium bromide
CID 163210930
dimethyl-octyl-phenylazanium
CID 54404840

Frequently Asked Questions

What is the IUPAC name of decyl(triphenyl)azanium iodide?
The IUPAC name of decyl(triphenyl)azanium iodide (CID 69306188) is decyl(triphenyl)azanium iodide.
What is the SMILES notation for decyl(triphenyl)azanium iodide?
The canonical SMILES for decyl(triphenyl)azanium iodide is CCCCCCCCCC[N+](c1ccccc1)(c1ccccc1)c1ccccc1.[I-].
What is the InChIKey of decyl(triphenyl)azanium iodide?
The InChIKey is CFGJJZDHQXQFOW-UHFFFAOYSA-M. The full InChI is InChI=1S/C28H36N.HI/c1-2-3-4-5-6-7-8-18-25-29(26-19-12-9-13-20-26,27-21-14-10-15-22-27)28-23-16-11-17-24-28;/h9-17,19-24H,2-8,18,25H2,1H3;1H/q+1;/p-1.
What are the key properties of decyl(triphenyl)azanium iodide?
decyl(triphenyl)azanium iodide has a molecular weight of 513.51 g/mol, XLogP of 5.80, 12 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for decyl(triphenyl)azanium iodide is sourced from PubChem (CID 69306188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).