octadecyl(diphenyl)azanium

C30H48N+ — CID 102343449

IUPACoctadecyl(diphenyl)azanium
SMILESCCCCCCCCCCCCCCCCCC[NH+](c1ccccc1)c1ccccc1
InChIInChI=1S/C30H47N/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-23-28-31(29-24-19-17-20-25-29)30-26-21-18-22-27-30/h17-22,24-27H,2-16,23,28H2,1H3/p+1
InChIKeyQHTLABAFAMWNBF-UHFFFAOYSA-O
MW422.72 g/mol
LogP8.80
Rot. Bonds19

About octadecyl(diphenyl)azanium

octadecyl(diphenyl)azanium (PubChem CID 102343449) has the molecular formula C30H48N+ and a molecular weight of 422.72 g/mol. Its IUPAC name is octadecyl(diphenyl)azanium.

Molecular Properties

Compound Nameoctadecyl(diphenyl)azanium
PubChem CID102343449
Molecular FormulaC30H48N+
Molecular Weight422.72 g/mol
Exact Mass422.38
IUPAC Nameoctadecyl(diphenyl)azanium
SMILESCCCCCCCCCCCCCCCCCC[NH+](c1ccccc1)c1ccccc1
InChIInChI=1S/C30H47N/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-23-28-31(29-24-19-17-20-25-29)30-26-21-18-22-27-30/h17-22,24-27H,2-16,23,28H2,1H3/p+1
InChIKeyQHTLABAFAMWNBF-UHFFFAOYSA-O
XLogP8.80
TPSA4.44 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds19
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500422.72
LogP ≤ 58.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

1,1'-biphenyl;hexadecane
CID 173308514
benzyl-di(nonyl)azanium chloride
CID 139949788
heptyl-octadecyl-phenylazanium;tetrakis(2,3,4,5,6-pentafluorophenyl)boranuide
CID 175728546
benzene;heptane;hexane;toluene
CID 160959480
bis(heptane);toluene
CID 157306102
benzyl-dodecyl-methylazanium hydroxide
CID 87456417
CID 137019124
CID 137019124
azanium;methyl(dioctadecyl)azanium;bis(tetraphenylboranuide)
CID 142622212
N-(2-phenylethyl)heptadecan-1-amine oxide
CID 122612686
hexadecyl-(2-phenylpropan-2-yl)-tetradecylazanium chloride
CID 19878668
N-(2-phenylethyl)undecan-1-amine oxide
CID 122613317
hexakis(decane);ethylbenzene
CID 173398562

Frequently Asked Questions

What is the IUPAC name of octadecyl(diphenyl)azanium?
The IUPAC name of octadecyl(diphenyl)azanium (CID 102343449) is octadecyl(diphenyl)azanium.
What is the SMILES notation for octadecyl(diphenyl)azanium?
The canonical SMILES for octadecyl(diphenyl)azanium is CCCCCCCCCCCCCCCCCC[NH+](c1ccccc1)c1ccccc1.
What is the InChIKey of octadecyl(diphenyl)azanium?
The InChIKey is QHTLABAFAMWNBF-UHFFFAOYSA-O. The full InChI is InChI=1S/C30H47N/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-23-28-31(29-24-19-17-20-25-29)30-26-21-18-22-27-30/h17-22,24-27H,2-16,23,28H2,1H3/p+1.
What are the key properties of octadecyl(diphenyl)azanium?
octadecyl(diphenyl)azanium has a molecular weight of 422.72 g/mol, XLogP of 8.80, 19 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for octadecyl(diphenyl)azanium is sourced from PubChem (CID 102343449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).