14,14,14-triphenyltetradecylazanium bromide

C32H44BrN — CID 69305418

IUPAC14,14,14-triphenyltetradecylazanium bromide
SMILES[Br-].[NH3+]CCCCCCCCCCCCCC(c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C32H43N.BrH/c33-28-20-9-7-5-3-1-2-4-6-8-19-27-32(29-21-13-10-14-22-29,30-23-15-11-16-24-30)31-25-17-12-18-26-31;/h10-18,21-26H,1-9,19-20,27-28,33H2;1H
InChIKeyAWWBQYUKXPZAPI-UHFFFAOYSA-N
MW522.62 g/mol
LogP4.95
Rot. Bonds16

About 14,14,14-triphenyltetradecylazanium bromide

14,14,14-triphenyltetradecylazanium bromide (PubChem CID 69305418) has the molecular formula C32H44BrN and a molecular weight of 522.62 g/mol. Its IUPAC name is 14,14,14-triphenyltetradecylazanium bromide.

Molecular Properties

Compound Name14,14,14-triphenyltetradecylazanium bromide
PubChem CID69305418
Molecular FormulaC32H44BrN
Molecular Weight522.62 g/mol
Exact Mass521.27
IUPAC Name14,14,14-triphenyltetradecylazanium bromide
SMILES[Br-].[NH3+]CCCCCCCCCCCCCC(c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C32H43N.BrH/c33-28-20-9-7-5-3-1-2-4-6-8-19-27-32(29-21-13-10-14-22-29,30-23-15-11-16-24-30)31-25-17-12-18-26-31;/h10-18,21-26H,1-9,19-20,27-28,33H2;1H
InChIKeyAWWBQYUKXPZAPI-UHFFFAOYSA-N
XLogP4.95
TPSA27.64 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds16
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500522.62
LogP ≤ 54.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 14,14,14-triphenyltetradecylazanium bromide?
The IUPAC name of 14,14,14-triphenyltetradecylazanium bromide (CID 69305418) is 14,14,14-triphenyltetradecylazanium bromide.
What is the SMILES notation for 14,14,14-triphenyltetradecylazanium bromide?
The canonical SMILES for 14,14,14-triphenyltetradecylazanium bromide is [Br-].[NH3+]CCCCCCCCCCCCCC(c1ccccc1)(c1ccccc1)c1ccccc1.
What is the InChIKey of 14,14,14-triphenyltetradecylazanium bromide?
The InChIKey is AWWBQYUKXPZAPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H43N.BrH/c33-28-20-9-7-5-3-1-2-4-6-8-19-27-32(29-21-13-10-14-22-29,30-23-15-11-16-24-30)31-25-17-12-18-26-31;/h10-18,21-26H,1-9,19-20,27-28,33H2;1H.
What are the key properties of 14,14,14-triphenyltetradecylazanium bromide?
14,14,14-triphenyltetradecylazanium bromide has a molecular weight of 522.62 g/mol, XLogP of 4.95, 16 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 14,14,14-triphenyltetradecylazanium bromide is sourced from PubChem (CID 69305418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).