1-(4-phenylphenyl)-2-(2-pyridin-2-ylpyridin-1-ium-1-yl)ethanone

C24H19N2O+ — CID 5004353

IUPAC1-(4-phenylphenyl)-2-(2-pyridin-2-ylpyridin-1-ium-1-yl)ethanone
SMILESO=C(C[n+]1ccccc1-c1ccccn1)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C24H19N2O/c27-24(21-14-12-20(13-15-21)19-8-2-1-3-9-19)18-26-17-7-5-11-23(26)22-10-4-6-16-25-22/h1-17H,18H2/q+1
InChIKeyAKCLEOIZQPJHMH-UHFFFAOYSA-N
MW351.43 g/mol
LogP4.59
Rot. Bonds5

About 1-(4-phenylphenyl)-2-(2-pyridin-2-ylpyridin-1-ium-1-yl)ethanone

1-(4-phenylphenyl)-2-(2-pyridin-2-ylpyridin-1-ium-1-yl)ethanone (PubChem CID 5004353) has the molecular formula C24H19N2O+ and a molecular weight of 351.43 g/mol. Its IUPAC name is 1-(4-phenylphenyl)-2-(2-pyridin-2-ylpyridin-1-ium-1-yl)ethanone.

Molecular Properties

Compound Name1-(4-phenylphenyl)-2-(2-pyridin-2-ylpyridin-1-ium-1-yl)ethanone
PubChem CID5004353
Molecular FormulaC24H19N2O+
Molecular Weight351.43 g/mol
Exact Mass351.15
IUPAC Name1-(4-phenylphenyl)-2-(2-pyridin-2-ylpyridin-1-ium-1-yl)ethanone
SMILESO=C(C[n+]1ccccc1-c1ccccn1)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C24H19N2O/c27-24(21-14-12-20(13-15-21)19-8-2-1-3-9-19)18-26-17-7-5-11-23(26)22-10-4-6-16-25-22/h1-17H,18H2/q+1
InChIKeyAKCLEOIZQPJHMH-UHFFFAOYSA-N
XLogP4.59
TPSA33.84 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.43
LogP ≤ 54.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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2-Phenyl-1-(pyridin-2-yl)ethan-1-one
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Piberaline
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7-Methyl-8-oxo-5-P-tolyl-7,8-dihydro-[1,7]naphthyridine-6-carboxylic acid (S)-[(S)-1-(3,5-bis-trifluoromethyl-phenyl)-ethyl]-methyl-amide (enantiomeric mix)
CID 10053205
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Frequently Asked Questions

What is the IUPAC name of 1-(4-phenylphenyl)-2-(2-pyridin-2-ylpyridin-1-ium-1-yl)ethanone?
The IUPAC name of 1-(4-phenylphenyl)-2-(2-pyridin-2-ylpyridin-1-ium-1-yl)ethanone (CID 5004353) is 1-(4-phenylphenyl)-2-(2-pyridin-2-ylpyridin-1-ium-1-yl)ethanone.
What is the SMILES notation for 1-(4-phenylphenyl)-2-(2-pyridin-2-ylpyridin-1-ium-1-yl)ethanone?
The canonical SMILES for 1-(4-phenylphenyl)-2-(2-pyridin-2-ylpyridin-1-ium-1-yl)ethanone is O=C(C[n+]1ccccc1-c1ccccn1)c1ccc(-c2ccccc2)cc1.
What is the InChIKey of 1-(4-phenylphenyl)-2-(2-pyridin-2-ylpyridin-1-ium-1-yl)ethanone?
The InChIKey is AKCLEOIZQPJHMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19N2O/c27-24(21-14-12-20(13-15-21)19-8-2-1-3-9-19)18-26-17-7-5-11-23(26)22-10-4-6-16-25-22/h1-17H,18H2/q+1.
What are the key properties of 1-(4-phenylphenyl)-2-(2-pyridin-2-ylpyridin-1-ium-1-yl)ethanone?
1-(4-phenylphenyl)-2-(2-pyridin-2-ylpyridin-1-ium-1-yl)ethanone has a molecular weight of 351.43 g/mol, XLogP of 4.59, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-phenylphenyl)-2-(2-pyridin-2-ylpyridin-1-ium-1-yl)ethanone is sourced from PubChem (CID 5004353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).