tributyl(4,4,4-triphenylbutyl)azanium

C34H48N+ — CID 118467118

IUPACtributyl(4,4,4-triphenylbutyl)azanium
SMILESCCCC[N+](CCCC)(CCCC)CCCC(c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C34H48N/c1-4-7-27-35(28-8-5-2,29-9-6-3)30-19-26-34(31-20-13-10-14-21-31,32-22-15-11-16-23-32)33-24-17-12-18-25-33/h10-18,20-25H,4-9,19,26-30H2,1-3H3/q+1
InChIKeyBSFIBMCKGDYAJB-UHFFFAOYSA-N
MW470.77 g/mol
LogP9.02
Rot. Bonds16

About tributyl(4,4,4-triphenylbutyl)azanium

tributyl(4,4,4-triphenylbutyl)azanium (PubChem CID 118467118) has the molecular formula C34H48N+ and a molecular weight of 470.77 g/mol. Its IUPAC name is tributyl(4,4,4-triphenylbutyl)azanium.

Molecular Properties

Compound Nametributyl(4,4,4-triphenylbutyl)azanium
PubChem CID118467118
Molecular FormulaC34H48N+
Molecular Weight470.77 g/mol
Exact Mass470.38
IUPAC Nametributyl(4,4,4-triphenylbutyl)azanium
SMILESCCCC[N+](CCCC)(CCCC)CCCC(c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C34H48N/c1-4-7-27-35(28-8-5-2,29-9-6-3)30-19-26-34(31-20-13-10-14-21-31,32-22-15-11-16-23-32)33-24-17-12-18-25-33/h10-18,20-25H,4-9,19,26-30H2,1-3H3/q+1
InChIKeyBSFIBMCKGDYAJB-UHFFFAOYSA-N
XLogP9.02
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds16
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500470.77
LogP ≤ 59.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}, {'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

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Related Compounds

1,1-diphenylbutylbenzene;tetrabutylazanium
CID 173340312
benzenethiolate;tetrabutylazanium
CID 11772529
4-[1-phenyl-1-(4-sulfanylphenyl)pentyl]benzenethiol
CID 156622039
1-chloro-4-[1-(4-chlorophenyl)-1-phenylpentyl]benzene
CID 57254584
tetrabutylazanium;1,2-xylene
CID 69453766
tert-butylbenzene;hexane
CID 175254424
heptadecyl(3,3,3-triphenylpropyl)phosphane
CID 69389149
N-(3,3,3-triphenylpropyl)hexan-1-amine
CID 69396005
CID 123237849
CID 123237849
1,1-diphenylhexan-1-amine
CID 20568221
15-phenylnonacosan-15-ylbenzene
CID 141310981
benzyl-butyl-didodecylazanium
CID 156729719

Frequently Asked Questions

What is the IUPAC name of tributyl(4,4,4-triphenylbutyl)azanium?
The IUPAC name of tributyl(4,4,4-triphenylbutyl)azanium (CID 118467118) is tributyl(4,4,4-triphenylbutyl)azanium.
What is the SMILES notation for tributyl(4,4,4-triphenylbutyl)azanium?
The canonical SMILES for tributyl(4,4,4-triphenylbutyl)azanium is CCCC[N+](CCCC)(CCCC)CCCC(c1ccccc1)(c1ccccc1)c1ccccc1.
What is the InChIKey of tributyl(4,4,4-triphenylbutyl)azanium?
The InChIKey is BSFIBMCKGDYAJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H48N/c1-4-7-27-35(28-8-5-2,29-9-6-3)30-19-26-34(31-20-13-10-14-21-31,32-22-15-11-16-23-32)33-24-17-12-18-25-33/h10-18,20-25H,4-9,19,26-30H2,1-3H3/q+1.
What are the key properties of tributyl(4,4,4-triphenylbutyl)azanium?
tributyl(4,4,4-triphenylbutyl)azanium has a molecular weight of 470.77 g/mol, XLogP of 9.02, 16 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for tributyl(4,4,4-triphenylbutyl)azanium is sourced from PubChem (CID 118467118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).