<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <id type="integer">351319</id>
  <title nil="true"/>
  <common-name>[(2e,5e)-2,5-bis(anilinomethylidene)cyclopentylidene]-diphenylazanium</common-name>
  <description>[(2e,5e)-2,5-bis(anilinomethylidene)cyclopentylidene]-diphenylazanium is a compound with the formula C31H28N3+. It has an average molecular weight of 442.60 g/mol.</description>
  <cas nil="true"/>
  <pubchem-id>3035165</pubchem-id>
  <chemical-formula>C31H28N3+</chemical-formula>
  <weight>442.6</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">2026-08-31T16:57:28Z</created-at>
  <updated-at type="dateTime">2026-08-31T16:57:28Z</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>C1CC(=CNC2=CC=CC=C2)C(=[N+](C3=CC=CC=C3)C4=CC=CC=C4)C1=CNC5=CC=CC=C5</moldb-smiles>
  <moldb-formula>C31H28N3+</moldb-formula>
  <moldb-inchi>InChI=1S/C31H27N3/c1-5-13-27(14-6-1)32-23-25-21-22-26(24-33-28-15-7-2-8-16-28)31(25)34(29-17-9-3-10-18-29)30-19-11-4-12-20-30/h1-20,23-24H,21-22H2,(H,32,33)/p+1</moldb-inchi>
  <moldb-inchikey>PQRRQTAWFLEQOR-UHFFFAOYSA-O</moldb-inchikey>
  <moldb-average-mass type="decimal" nil="true"/>
  <moldb-mono-mass type="decimal">442.2283229</moldb-mono-mass>
  <origin nil="true"/>
  <state nil="true"/>
  <logp>7.3</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>CHEM347212</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>[(2e,5e)-2,5-bis(anilinomethylidene)cyclopentylidene]-diphenylazanium</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>Aniline and substituted anilines</subklass>
  <paper-count type="integer" nil="true"/>
  <sync-id>CED0301619</sync-id>
  <structure-inchikey>PQRRQTAWFLEQOR-UHFFFAOYSA-O</structure-inchikey>
  <structure-fingerprint>100000000000000000000000000000000000000000000000404100000000000000000000080000000000000000000000000000000000000000000000000000201004000000000000000000000000000000000000000000000000000020000000000000000000000000000000000000000800000000010000080000000000100000000000200000020000000000000000000000000088000000000000000000000000000000000000000000000000000000020000000004000000000000000000000200200000000000000000000000000000040000400000020004000003000000080000000000000</structure-fingerprint>
  <structure-pattern-fingerprint>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</structure-pattern-fingerprint>
  <structure-pickle type="binary" encoding="base64">776t3gAAAAAQAAAAAwAAAAAAAAAiAAAAJgAAAIABBgBgAAAAAgIGAGAAAAAC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</structure-pickle>
  <structure-indexed-at type="dateTime">2026-09-19T05:49:15Z</structure-indexed-at>
</compound>
