<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <id type="integer">358716</id>
  <title nil="true"/>
  <common-name>(6z,12z)-6,12-diphenyl-2,8-bis[2-(4-phenylpiperazin-1-yl)ethoxy]benzo[c][1,5]benzodiazocine</common-name>
  <description>(6z,12z)-6,12-diphenyl-2,8-bis[2-(4-phenylpiperazin-1-yl)ethoxy]benzo[c][1,5]benzodiazocine is a chemical compound with the formula C50H50N6O2. With an average molecular weight of 767.00 g/mol, (6z,12z)-6,12-diphenyl-2,8-bis[2-(4-phenylpiperazin-1-yl)ethoxy]benzo[c][1,5]benzodiazocine is a heavy molecule.</description>
  <cas>130189-76-3</cas>
  <pubchem-id>5747741</pubchem-id>
  <chemical-formula>C50H50N6O2</chemical-formula>
  <weight>767</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">2026-09-01T06:31:39Z</created-at>
  <updated-at type="dateTime">2026-09-01T06:31:39Z</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>C1CN(CCN1CCOC2=CC3=C(N=C4C=CC(=CC4=C(N=C3C=C2)C5=CC=CC=C5)OCCN6CCN(CC6)C7=CC=CC=C7)C8=CC=CC=C8)C9=CC=CC=C9</moldb-smiles>
  <moldb-formula>C50H50N6O2</moldb-formula>
  <moldb-inchi>InChI=1S/C50H50N6O2/c1-5-13-39(14-6-1)49-45-37-43(57-35-33-53-25-29-55(30-26-53)41-17-9-3-10-18-41)21-23-47(45)52-50(40-15-7-2-8-16-40)46-38-44(22-24-48(46)51-49)58-36-34-54-27-31-56(32-28-54)42-19-11-4-12-20-42/h1-24,37-38H,25-36H2/b49-45-,50-46-,51-48?,51-49?,52-47?,52-50?</moldb-inchi>
  <moldb-inchikey>ATMCXKDVUCXZNO-KIEXQWCESA-N</moldb-inchikey>
  <moldb-average-mass type="decimal" nil="true"/>
  <moldb-mono-mass type="decimal">766.3995249</moldb-mono-mass>
  <origin nil="true"/>
  <state nil="true"/>
  <logp>9.3</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>CHEM354609</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>(6z,12z)-6,12-diphenyl-2,8-bis[2-(4-phenylpiperazin-1-yl)ethoxy]benzo[c][1,5]benzodiazocine</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 nil="true"/>
  <superklass nil="true"/>
  <klass nil="true"/>
  <subklass nil="true"/>
  <paper-count type="integer" nil="true"/>
  <sync-id>CED0308933</sync-id>
  <structure-inchikey>ATMCXKDVUCXZNO-UHFFFAOYSA-N</structure-inchikey>
  <structure-fingerprint>4000004000000002080000000000000000000000000000000000000000000000400000000000020000000080400200400010000000000000000000000000000000400000000000000000000000000000000000401010000020000800000000000000000000000000000000010000000000003010000000000000000000000002000400000100080000000000000400080000800010000000000000000040000000000000000000000000008000004000000000008000000a000040800000000000100000000000000000000000000000000000000000000000200000000010000000040800000000040080000000000000000000000000000000000000000</structure-fingerprint>
  <structure-pattern-fingerprint>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</structure-pattern-fingerprint>
  <structure-pickle>ï¾­Þ����������������:���B���€���`�������`�������(�������`�������`������� ������`�������`�������(������@(������@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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�h���(�� �(���h���h���h���h���h���(��� ��(���h���h��� ��h���h���h���h���h��� � � !�!"�"#�#$�$%�%&amp;�&amp;'�%( ()h�)*h�*+h�+,h�,-h��. ./h�/0h�01h�12h�23h��4 45h�56h�67h�78h�89h�����	h���h���h���h�'"�-(h�3.h�94h�B	�����������
����	�����������������������#$%&amp;'"�)*+,-(�/0123.�567894����������</structure-pickle>
  <structure-indexed-at type="dateTime">2026-09-19T05:56:20Z</structure-indexed-at>
</compound>
