tribenzyl(2-hydroxypropyl)azanium

C24H28NO+ — CID 58570197

IUPACtribenzyl(2-hydroxypropyl)azanium
SMILESCC(O)C[N+](Cc1ccccc1)(Cc1ccccc1)Cc1ccccc1
InChIInChI=1S/C24H28NO/c1-21(26)17-25(18-22-11-5-2-6-12-22,19-23-13-7-3-8-14-23)20-24-15-9-4-10-16-24/h2-16,21,26H,17-20H2,1H3/q+1
InChIKeyAIGQVUWEXXCTDH-UHFFFAOYSA-N
MW346.49 g/mol
LogP4.78
Rot. Bonds8

About tribenzyl(2-hydroxypropyl)azanium

tribenzyl(2-hydroxypropyl)azanium (PubChem CID 58570197) has the molecular formula C24H28NO+ and a molecular weight of 346.49 g/mol. Its IUPAC name is tribenzyl(2-hydroxypropyl)azanium.

Molecular Properties

Compound Nametribenzyl(2-hydroxypropyl)azanium
PubChem CID58570197
Molecular FormulaC24H28NO+
Molecular Weight346.49 g/mol
Exact Mass346.22
IUPAC Nametribenzyl(2-hydroxypropyl)azanium
SMILESCC(O)C[N+](Cc1ccccc1)(Cc1ccccc1)Cc1ccccc1
InChIInChI=1S/C24H28NO/c1-21(26)17-25(18-22-11-5-2-6-12-22,19-23-13-7-3-8-14-23)20-24-15-9-4-10-16-24/h2-16,21,26H,17-20H2,1H3/q+1
InChIKeyAIGQVUWEXXCTDH-UHFFFAOYSA-N
XLogP4.78
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.49
LogP ≤ 54.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of tribenzyl(2-hydroxypropyl)azanium?
The IUPAC name of tribenzyl(2-hydroxypropyl)azanium (CID 58570197) is tribenzyl(2-hydroxypropyl)azanium.
What is the SMILES notation for tribenzyl(2-hydroxypropyl)azanium?
The canonical SMILES for tribenzyl(2-hydroxypropyl)azanium is CC(O)C[N+](Cc1ccccc1)(Cc1ccccc1)Cc1ccccc1.
What is the InChIKey of tribenzyl(2-hydroxypropyl)azanium?
The InChIKey is AIGQVUWEXXCTDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28NO/c1-21(26)17-25(18-22-11-5-2-6-12-22,19-23-13-7-3-8-14-23)20-24-15-9-4-10-16-24/h2-16,21,26H,17-20H2,1H3/q+1.
What are the key properties of tribenzyl(2-hydroxypropyl)azanium?
tribenzyl(2-hydroxypropyl)azanium has a molecular weight of 346.49 g/mol, XLogP of 4.78, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for tribenzyl(2-hydroxypropyl)azanium is sourced from PubChem (CID 58570197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).