triphenyl(prop-2-enyl)azanium chloride

C21H20ClN — CID 68811649

IUPACtriphenyl(prop-2-enyl)azanium chloride
SMILESC=CC[N+](c1ccccc1)(c1ccccc1)c1ccccc1.[Cl-]
InChIInChI=1S/C21H20N.ClH/c1-2-18-22(19-12-6-3-7-13-19,20-14-8-4-9-15-20)21-16-10-5-11-17-21;/h2-17H,1,18H2;1H/q+1;/p-1
InChIKeyAJNLAYANLUIGNT-UHFFFAOYSA-M
MW321.85 g/mol
LogP2.85
Rot. Bonds5

About triphenyl(prop-2-enyl)azanium chloride

triphenyl(prop-2-enyl)azanium chloride (PubChem CID 68811649) has the molecular formula C21H20ClN and a molecular weight of 321.85 g/mol. Its IUPAC name is triphenyl(prop-2-enyl)azanium chloride.

Molecular Properties

Compound Nametriphenyl(prop-2-enyl)azanium chloride
PubChem CID68811649
Molecular FormulaC21H20ClN
Molecular Weight321.85 g/mol
Exact Mass321.13
IUPAC Nametriphenyl(prop-2-enyl)azanium chloride
SMILESC=CC[N+](c1ccccc1)(c1ccccc1)c1ccccc1.[Cl-]
InChIInChI=1S/C21H20N.ClH/c1-2-18-22(19-12-6-3-7-13-19,20-14-8-4-9-15-20)21-16-10-5-11-17-21;/h2-17H,1,18H2;1H/q+1;/p-1
InChIKeyAJNLAYANLUIGNT-UHFFFAOYSA-M
XLogP2.85
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.85
LogP ≤ 52.85
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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Frequently Asked Questions

What is the IUPAC name of triphenyl(prop-2-enyl)azanium chloride?
The IUPAC name of triphenyl(prop-2-enyl)azanium chloride (CID 68811649) is triphenyl(prop-2-enyl)azanium chloride.
What is the SMILES notation for triphenyl(prop-2-enyl)azanium chloride?
The canonical SMILES for triphenyl(prop-2-enyl)azanium chloride is C=CC[N+](c1ccccc1)(c1ccccc1)c1ccccc1.[Cl-].
What is the InChIKey of triphenyl(prop-2-enyl)azanium chloride?
The InChIKey is AJNLAYANLUIGNT-UHFFFAOYSA-M. The full InChI is InChI=1S/C21H20N.ClH/c1-2-18-22(19-12-6-3-7-13-19,20-14-8-4-9-15-20)21-16-10-5-11-17-21;/h2-17H,1,18H2;1H/q+1;/p-1.
What are the key properties of triphenyl(prop-2-enyl)azanium chloride?
triphenyl(prop-2-enyl)azanium chloride has a molecular weight of 321.85 g/mol, XLogP of 2.85, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for triphenyl(prop-2-enyl)azanium chloride is sourced from PubChem (CID 68811649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).