<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <id type="integer">338166</id>
  <title nil="true"/>
  <common-name>1-(4-phenylphenyl)-2-(4-pyridin-4-ylpyridin-1-ium-1-yl)ethanone</common-name>
  <description>1-(4-phenylphenyl)-2-(4-pyridin-4-ylpyridin-1-ium-1-yl)ethanone is a chemical compound with the formula C24H19N2O+. It has an average molecular weight of 351.40 g/mol.</description>
  <cas nil="true"/>
  <pubchem-id>45051123</pubchem-id>
  <chemical-formula>C24H19N2O+</chemical-formula>
  <weight>351.4</weight>
  <appearance nil="true"/>
  <melting-point nil="true"/>
  <boiling-point nil="true"/>
  <density nil="true"/>
  <solubility nil="true"/>
  <specific-gravity nil="true"/>
  <flash-point nil="true"/>
  <vapour-pressure nil="true"/>
  <route-of-exposure nil="true"/>
  <target nil="true"/>
  <mechanism-of-toxicity nil="true"/>
  <metabolism nil="true"/>
  <toxicity nil="true"/>
  <lethaldose nil="true"/>
  <carcinogenicity nil="true"/>
  <use-source nil="true"/>
  <min-risk-level nil="true"/>
  <health-effects nil="true"/>
  <symptoms nil="true"/>
  <treatment nil="true"/>
  <created-at type="dateTime">2026-08-30T21:13:31Z</created-at>
  <updated-at type="dateTime">2026-08-30T21:13:31Z</updated-at>
  <interacting-proteins nil="true"/>
  <wikipedia nil="true"/>
  <uniprot-id nil="true"/>
  <kegg-compound-id nil="true"/>
  <omim-id nil="true"/>
  <chebi-id nil="true"/>
  <biocyc-id nil="true"/>
  <ctd-id nil="true"/>
  <stitch-id nil="true"/>
  <drugbank-id nil="true"/>
  <pdb-id nil="true"/>
  <actor-id nil="true"/>
  <organism nil="true"/>
  <export type="boolean">true</export>
  <metabolizing-proteins nil="true"/>
  <transporting-proteins nil="true"/>
  <moldb-smiles>C1=CC=C(C=C1)C2=CC=C(C=C2)C(=O)C[N+]3=CC=C(C=C3)C4=CC=NC=C4</moldb-smiles>
  <moldb-formula>C24H19N2O+</moldb-formula>
  <moldb-inchi>InChI=1S/C24H19N2O/c27-24(23-8-6-20(7-9-23)19-4-2-1-3-5-19)18-26-16-12-22(13-17-26)21-10-14-25-15-11-21/h1-17H,18H2/q+1</moldb-inchi>
  <moldb-inchikey>UYDSTWTZFMOJOR-UHFFFAOYSA-N</moldb-inchikey>
  <moldb-average-mass type="decimal" nil="true"/>
  <moldb-mono-mass type="decimal">351.1497382</moldb-mono-mass>
  <origin nil="true"/>
  <state nil="true"/>
  <logp>4.7</logp>
  <hmdb-id nil="true"/>
  <chembl-id nil="true"/>
  <chemspider-id nil="true"/>
  <structure-image-file-name nil="true"/>
  <structure-image-content-type nil="true"/>
  <structure-image-file-size type="integer" nil="true"/>
  <structure-image-updated-at type="dateTime" nil="true"/>
  <biodb-id nil="true"/>
  <synthesis-reference nil="true"/>
  <structure-image-caption nil="true"/>
  <chemdb-id>CHEM334059</chemdb-id>
  <dsstox-id nil="true"/>
  <toxcast-id nil="true"/>
  <stoff-ident-origin nil="true"/>
  <stoff-ident-id nil="true"/>
  <susdat-id nil="true"/>
  <iupac>1-(4-phenylphenyl)-2-(4-pyridin-4-ylpyridin-1-ium-1-yl)ethanone</iupac>
  <moldb-polar-surface-area nil="true"/>
  <moldb-refractivity nil="true"/>
  <moldb-polarizability nil="true"/>
  <moldb-rotatable-bond-count nil="true"/>
  <moldb-acceptor-count nil="true"/>
  <moldb-donor-count nil="true"/>
  <moldb-pka-strongest-acidic nil="true"/>
  <moldb-pka-strongest-basic nil="true"/>
  <moldb-physiological-charge nil="true"/>
  <moldb-number-of-rings nil="true"/>
  <moldb-alogps-logp nil="true"/>
  <moldb-alogps-logs nil="true"/>
  <moldb-alogps-solubility nil="true"/>
  <kingdom>Organic compounds</kingdom>
  <superklass>Organic oxygen compounds</superklass>
  <klass>Organooxygen compounds</klass>
  <subklass>Carbonyl compounds</subklass>
  <paper-count type="integer" nil="true"/>
  <sync-id>CED0288595</sync-id>
  <structure-inchikey>UYDSTWTZFMOJOR-UHFFFAOYSA-N</structure-inchikey>
  <structure-fingerprint>20000000000000000800000000000000000440000000000000000000000000000000000000000000000000000002104000000000000000001000000000000000000000080000000000000000000000020000000000000000008008000000000000000010400000000000000000000800200000000000000000000001000000000000000000000800000000000000000800000000100800000000000000000000000000000000000000000084000000000000000000000000000000000000000000000000000001000200000000000000000044000000000000200000000000000000000000000002440000000000400000000000800000000000000000000</structure-fingerprint>
  <structure-pattern-fingerprint>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</structure-pattern-fingerprint>
  <structure-pickle>ï¾­Þ������������������������€��@h�������@h�������@h�������@(������@h�������@h�������@(������@h�������@h�������@(������@h�������@h��������(�������(�������`������`*�������@h�������@h�������@(������@h�������@h�������@(������@h�������@h�������@(������@h�������@h���������h���h���h���h���h��� ��h���h��	h�	
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�h�	� �(���������h���h���h���h���h��� ��h���h���h���h���h���h���h���h���h�B��������������	
��������������������������</structure-pickle>
  <structure-indexed-at type="dateTime">2026-09-19T05:39:00Z</structure-indexed-at>
</compound>
