2-(4-benzylpyridin-1-ium-1-yl)-1-naphthalen-1-ylethanone

C24H20NO+ — CID 5154725

IUPAC2-(4-benzylpyridin-1-ium-1-yl)-1-naphthalen-1-ylethanone
SMILESO=C(C[n+]1ccc(Cc2ccccc2)cc1)c1cccc2ccccc12
InChIInChI=1S/C24H20NO/c26-24(23-12-6-10-21-9-4-5-11-22(21)23)18-25-15-13-20(14-16-25)17-19-7-2-1-3-8-19/h1-16H,17-18H2/q+1
InChIKeyIRGMRVUVIOZOEL-UHFFFAOYSA-N
MW338.43 g/mol
LogP4.60
Rot. Bonds5

About 2-(4-benzylpyridin-1-ium-1-yl)-1-naphthalen-1-ylethanone

2-(4-benzylpyridin-1-ium-1-yl)-1-naphthalen-1-ylethanone (PubChem CID 5154725) has the molecular formula C24H20NO+ and a molecular weight of 338.43 g/mol. Its IUPAC name is 2-(4-benzylpyridin-1-ium-1-yl)-1-naphthalen-1-ylethanone.

Molecular Properties

Compound Name2-(4-benzylpyridin-1-ium-1-yl)-1-naphthalen-1-ylethanone
PubChem CID5154725
Molecular FormulaC24H20NO+
Molecular Weight338.43 g/mol
Exact Mass338.15
IUPAC Name2-(4-benzylpyridin-1-ium-1-yl)-1-naphthalen-1-ylethanone
SMILESO=C(C[n+]1ccc(Cc2ccccc2)cc1)c1cccc2ccccc12
InChIInChI=1S/C24H20NO/c26-24(23-12-6-10-21-9-4-5-11-22(21)23)18-25-15-13-20(14-16-25)17-19-7-2-1-3-8-19/h1-16H,17-18H2/q+1
InChIKeyIRGMRVUVIOZOEL-UHFFFAOYSA-N
XLogP4.60
TPSA20.95 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.43
LogP ≤ 54.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Related Compounds

1-naphthalen-1-yl-2-pyrazin-1-ium-1-ylethanone
CID 4142720
2-(4-benzylpyridin-1-ium-1-yl)-1-(7-ethyl-1H-indol-3-yl)ethanone
CID 8859871
2-(4-benzylpyridin-1-ium-1-yl)-1-(4-phenylphenyl)ethanone bromide
CID 44723848
2-(3-methylpyridin-1-ium-1-yl)-1-naphthalen-1-ylethanone bromide
CID 44723833
2-[4-(1-benzylpyridin-1-ium-4-yl)pyridin-1-ium-1-yl]-1-pyren-1-ylethanone
CID 102224155
1-naphthalen-1-yl-3-phenylpropan-1-one
CID 20764678
2-(4-benzylpyridin-1-ium-1-yl)-1-(4-iodophenyl)ethanone bromide
CID 71675343
2-(3,5-dimethylpyridin-1-ium-1-yl)-1-naphthalen-1-ylethanone;hydrobromide
CID 126959105
1-naphthalen-1-yl-2-(4-naphthalen-1-ylpyrimidin-1-ium-1-yl)ethanone;hydrobromide
CID 126958459
2-(4-benzylpyridin-1-ium-1-yl)-1-(2,4-dimethoxyphenyl)ethanone
CID 4651882
2-(4-benzylpyridin-1-ium-1-yl)-1-thiophen-2-ylethanone bromide
CID 12012698
2-(4-benzylpyridin-1-ium-1-yl)-1-(3-methoxyphenyl)ethanone bromide
CID 44723893

Frequently Asked Questions

What is the IUPAC name of 2-(4-benzylpyridin-1-ium-1-yl)-1-naphthalen-1-ylethanone?
The IUPAC name of 2-(4-benzylpyridin-1-ium-1-yl)-1-naphthalen-1-ylethanone (CID 5154725) is 2-(4-benzylpyridin-1-ium-1-yl)-1-naphthalen-1-ylethanone.
What is the SMILES notation for 2-(4-benzylpyridin-1-ium-1-yl)-1-naphthalen-1-ylethanone?
The canonical SMILES for 2-(4-benzylpyridin-1-ium-1-yl)-1-naphthalen-1-ylethanone is O=C(C[n+]1ccc(Cc2ccccc2)cc1)c1cccc2ccccc12.
What is the InChIKey of 2-(4-benzylpyridin-1-ium-1-yl)-1-naphthalen-1-ylethanone?
The InChIKey is IRGMRVUVIOZOEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20NO/c26-24(23-12-6-10-21-9-4-5-11-22(21)23)18-25-15-13-20(14-16-25)17-19-7-2-1-3-8-19/h1-16H,17-18H2/q+1.
What are the key properties of 2-(4-benzylpyridin-1-ium-1-yl)-1-naphthalen-1-ylethanone?
2-(4-benzylpyridin-1-ium-1-yl)-1-naphthalen-1-ylethanone has a molecular weight of 338.43 g/mol, XLogP of 4.60, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-benzylpyridin-1-ium-1-yl)-1-naphthalen-1-ylethanone is sourced from PubChem (CID 5154725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).