tribenzyl(prop-2-enyl)azanium

C24H26N+ — CID 22283727

IUPACtribenzyl(prop-2-enyl)azanium
SMILESC=CC[N+](Cc1ccccc1)(Cc1ccccc1)Cc1ccccc1
InChIInChI=1S/C24H26N/c1-2-18-25(19-22-12-6-3-7-13-22,20-23-14-8-4-9-15-23)21-24-16-10-5-11-17-24/h2-17H,1,18-21H2/q+1
InChIKeyQQEXUYWHTQRBCN-UHFFFAOYSA-N
MW328.48 g/mol
LogP5.59
Rot. Bonds8

About tribenzyl(prop-2-enyl)azanium

tribenzyl(prop-2-enyl)azanium (PubChem CID 22283727) has the molecular formula C24H26N+ and a molecular weight of 328.48 g/mol. Its IUPAC name is tribenzyl(prop-2-enyl)azanium.

Molecular Properties

Compound Nametribenzyl(prop-2-enyl)azanium
PubChem CID22283727
Molecular FormulaC24H26N+
Molecular Weight328.48 g/mol
Exact Mass328.21
IUPAC Nametribenzyl(prop-2-enyl)azanium
SMILESC=CC[N+](Cc1ccccc1)(Cc1ccccc1)Cc1ccccc1
InChIInChI=1S/C24H26N/c1-2-18-25(19-22-12-6-3-7-13-22,20-23-14-8-4-9-15-23)21-24-16-10-5-11-17-24/h2-17H,1,18-21H2/q+1
InChIKeyQQEXUYWHTQRBCN-UHFFFAOYSA-N
XLogP5.59
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500328.48
LogP ≤ 55.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

benzyl-didecyl-prop-2-enylazanium chloride
CID 87122462
benzyl-ethyl-bis(prop-2-enyl)azanium;methyl hydrogen sulfate
CID 174608123
benzyl-ethyl-bis(prop-2-enyl)azanium;methyl sulfate
CID 87531454
benzyl-dimethyl-prop-2-enylazanium;chloride;hydrochloride
CID 173433329
[4-[[diethyl(prop-2-enyl)azaniumyl]methyl]phenyl]methyl-diethyl-prop-2-enylazanium bromide
CID 54610948
benzyl-(1-phenylethyl)-bis(prop-2-enyl)azanium
CID 87531250
prop-2-enylbenzene
CID 159998516
tris(benzyl(triethyl)azanium);tribromide
CID 86596066
CID 173215164
CID 173215164
phosphane;prop-2-enylbenzene
CID 87328808
prop-2-enylbenzene;dihydrochloride
CID 174768742
triphenyl(prop-2-enyl)azanium chloride
CID 68811649

Frequently Asked Questions

What is the IUPAC name of tribenzyl(prop-2-enyl)azanium?
The IUPAC name of tribenzyl(prop-2-enyl)azanium (CID 22283727) is tribenzyl(prop-2-enyl)azanium.
What is the SMILES notation for tribenzyl(prop-2-enyl)azanium?
The canonical SMILES for tribenzyl(prop-2-enyl)azanium is C=CC[N+](Cc1ccccc1)(Cc1ccccc1)Cc1ccccc1.
What is the InChIKey of tribenzyl(prop-2-enyl)azanium?
The InChIKey is QQEXUYWHTQRBCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N/c1-2-18-25(19-22-12-6-3-7-13-22,20-23-14-8-4-9-15-23)21-24-16-10-5-11-17-24/h2-17H,1,18-21H2/q+1.
What are the key properties of tribenzyl(prop-2-enyl)azanium?
tribenzyl(prop-2-enyl)azanium has a molecular weight of 328.48 g/mol, XLogP of 5.59, 8 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for tribenzyl(prop-2-enyl)azanium is sourced from PubChem (CID 22283727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).