octyl-diphenyl-(2-phenylethenyl)azanium

C28H34N+ — CID 87513778

IUPACoctyl-diphenyl-(2-phenylethenyl)azanium
SMILESCCCCCCCC[N+](C=Cc1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C28H34N/c1-2-3-4-5-6-16-24-29(27-19-12-8-13-20-27,28-21-14-9-15-22-28)25-23-26-17-10-7-11-18-26/h7-15,17-23,25H,2-6,16,24H2,1H3/q+1
InChIKeyDPUBHRATEMJATO-UHFFFAOYSA-N
MW384.59 g/mol
LogP8.36
Rot. Bonds11

About octyl-diphenyl-(2-phenylethenyl)azanium

octyl-diphenyl-(2-phenylethenyl)azanium (PubChem CID 87513778) has the molecular formula C28H34N+ and a molecular weight of 384.59 g/mol. Its IUPAC name is octyl-diphenyl-(2-phenylethenyl)azanium.

Molecular Properties

Compound Nameoctyl-diphenyl-(2-phenylethenyl)azanium
PubChem CID87513778
Molecular FormulaC28H34N+
Molecular Weight384.59 g/mol
Exact Mass384.27
IUPAC Nameoctyl-diphenyl-(2-phenylethenyl)azanium
SMILESCCCCCCCC[N+](C=Cc1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C28H34N/c1-2-3-4-5-6-16-24-29(27-19-12-8-13-20-27,28-21-14-9-15-22-28)25-23-26-17-10-7-11-18-26/h7-15,17-23,25H,2-6,16,24H2,1H3/q+1
InChIKeyDPUBHRATEMJATO-UHFFFAOYSA-N
XLogP8.36
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds11
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500384.59
LogP ≤ 58.36
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(undecyl)azanium
CID 69395784
dihexyl(diphenyl)azanium
CID 18362526
methyl-dioctadecyl-(3-phenylprop-2-enyl)azanium
CID 70003563
dioctyl(diphenyl)azanium bromide
CID 69327421
triphenyl(tetradecyl)azanium iodide
CID 69306289
dihexyl(diphenyl)azanium iodide
CID 69305411
diethyl-hexadecyl-phenylazanium bromide
CID 163210930
heptyl-nonyl-diphenylazanium hydroxide
CID 175510166
decyl(triphenyl)azanium iodide
CID 69306188
methyl-phenyl-di(tridecyl)azanium
CID 90292596
octadecyl(triphenyl)azanium bromide
CID 69305421
diheptyl(diphenyl)azanium iodide
CID 69308025

Frequently Asked Questions

What is the IUPAC name of octyl-diphenyl-(2-phenylethenyl)azanium?
The IUPAC name of octyl-diphenyl-(2-phenylethenyl)azanium (CID 87513778) is octyl-diphenyl-(2-phenylethenyl)azanium.
What is the SMILES notation for octyl-diphenyl-(2-phenylethenyl)azanium?
The canonical SMILES for octyl-diphenyl-(2-phenylethenyl)azanium is CCCCCCCC[N+](C=Cc1ccccc1)(c1ccccc1)c1ccccc1.
What is the InChIKey of octyl-diphenyl-(2-phenylethenyl)azanium?
The InChIKey is DPUBHRATEMJATO-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H34N/c1-2-3-4-5-6-16-24-29(27-19-12-8-13-20-27,28-21-14-9-15-22-28)25-23-26-17-10-7-11-18-26/h7-15,17-23,25H,2-6,16,24H2,1H3/q+1.
What are the key properties of octyl-diphenyl-(2-phenylethenyl)azanium?
octyl-diphenyl-(2-phenylethenyl)azanium has a molecular weight of 384.59 g/mol, XLogP of 8.36, 11 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for octyl-diphenyl-(2-phenylethenyl)azanium is sourced from PubChem (CID 87513778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).