<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <id type="integer">354028</id>
  <title nil="true"/>
  <common-name>1-n,4-n-bis[4-(1-propylpyridin-1-ium-3-yl)phenyl]benzene-1,4-dicarboxamide</common-name>
  <description>1-n,4-n-bis[4-(1-propylpyridin-1-ium-3-yl)phenyl]benzene-1,4-dicarboxamide is a chemical compound with the formula C36H36N4O2+2. With an average molecular weight of 556.70 g/mol, 1-n,4-n-bis[4-(1-propylpyridin-1-ium-3-yl)phenyl]benzene-1,4-dicarboxamide is a heavy molecule.</description>
  <cas nil="true"/>
  <pubchem-id>205757</pubchem-id>
  <chemical-formula>C36H36N4O2+2</chemical-formula>
  <weight>556.7</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">2026-08-31T21:18:17Z</created-at>
  <updated-at type="dateTime">2026-08-31T21:18:17Z</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>CCC[N+]1=CC=CC(=C1)C2=CC=C(C=C2)NC(=O)C3=CC=C(C=C3)C(=O)NC4=CC=C(C=C4)C5=C[N+](=CC=C5)CCC</moldb-smiles>
  <moldb-formula>C36H36N4O2+2</moldb-formula>
  <moldb-inchi>InChI=1S/C36H34N4O2/c1-3-21-39-23-5-7-31(25-39)27-13-17-33(18-14-27)37-35(41)29-9-11-30(12-10-29)36(42)38-34-19-15-28(16-20-34)32-8-6-24-40(26-32)22-4-2/h5-20,23-26H,3-4,21-22H2,1-2H3/p+2</moldb-inchi>
  <moldb-inchikey>JVYVMIRYSWLPPH-UHFFFAOYSA-P</moldb-inchikey>
  <moldb-average-mass type="decimal" nil="true"/>
  <moldb-mono-mass type="decimal">556.2838264</moldb-mono-mass>
  <origin nil="true"/>
  <state nil="true"/>
  <logp>6.6</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>CHEM349921</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-n,4-n-bis[4-(1-propylpyridin-1-ium-3-yl)phenyl]benzene-1,4-dicarboxamide</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>Benzenoids</superklass>
  <klass>Benzene and substituted derivatives</klass>
  <subklass>Anilides</subklass>
  <paper-count type="integer" nil="true"/>
  <sync-id>CED0304310</sync-id>
  <structure-inchikey>JVYVMIRYSWLPPH-UHFFFAOYSA-P</structure-inchikey>
  <structure-fingerprint>100000000080010800000000002000000000000000100000000000000000000002002000000008000020000000000000000000000000001000002000000000000000000000000000000000000000020000000000000000001008000000000000020010400000010000000000000800000000000000000000000001000000000000040000400800000000000000080800000000000000000000000000000000000000000000000000000084000000000000000000000000000000000000000000000000000000000000000000000400002004000000000000200000000001000008000000000000040000000000400000000000800200000000000000000</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���h���h��	 	
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���	������������ ��"#$%&amp;!����������</structure-pickle>
  <structure-indexed-at type="dateTime">2026-09-19T05:51:51Z</structure-indexed-at>
</compound>
