<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <id type="integer">357764</id>
  <title nil="true"/>
  <common-name>54-chloro-13,26,39,52,53,55,56,57-octaza-54-gallatetradecacyclo[25.25.3.114,25.140,51.02,11.04,9.012,53.015,24.017,22.028,37.030,35.038,55.041,50.043,48]heptapentaconta-1,3,5,7,9,11,13,15,17,19,21,23,25(57),26,28,30,32,34,36,38,40(56),41,43,45,47,49,51-heptacosaene</common-name>
  <description>54-chloro-13,26,39,52,53,55,56,57-octaza-54-gallatetradecacyclo[25.25.3.114,25.140,51.02,11.04,9.012,53.015,24.017,22.028,37.030,35.038,55.041,50.043,48]heptapentaconta-1,3,5,7,9,11,13,15,17,19,21,23,25(57),26,28,30,32,34,36,38,40(56),41,43,45,47,49,51-heptacosaene is a chemical compound with the formula C48H24ClGaN8. With an average molecular weight of 817.90 g/mol, 54-chloro-13,26,39,52,53,55,56,57-octaza-54-gallatetradecacyclo[25.25.3.114,25.140,51.02,11.04,9.012,53.015,24.017,22.028,37.030,35.038,55.041,50.043,48]heptapentaconta-1,3,5,7,9,11,13,15,17,19,21,23,25(57),26,28,30,32,34,36,38,40(56),41,43,45,47,49,51-heptacosaene is a heavy molecule.</description>
  <cas nil="true"/>
  <pubchem-id>58291217</pubchem-id>
  <chemical-formula>C48H24ClGaN8</chemical-formula>
  <weight>817.9</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">2026-09-01T05:03:11Z</created-at>
  <updated-at type="dateTime">2026-09-01T05:03:11Z</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=C2C=C3C(=CC2=C1)C4=NC5=C6C=C7C=CC=CC7=CC6=C8N5[Ga](N9C(=NC3=N4)C1=CC2=CC=CC=C2C=C1C9=NC1=NC(=N8)C2=CC3=CC=CC=C3C=C21)Cl</moldb-smiles>
  <moldb-formula>C48H24ClGaN8</moldb-formula>
  <moldb-inchi>InChI=1S/C48H24N8.ClH.Ga/c1-2-10-26-18-34-33(17-25(26)9-1)41-49-42(34)54-44-37-21-29-13-5-6-14-30(29)22-38(37)46(51-44)56-48-40-24-32-16-8-7-15-31(32)23-39(40)47(52-48)55-45-36-20-28-12-4-3-11-27(28)19-35(36)43(50-45)53-41;;/h1-24H;1H;/q-2;;+3/p-1</moldb-inchi>
  <moldb-inchikey>NNCKENWXWWOUHN-UHFFFAOYSA-M</moldb-inchikey>
  <moldb-average-mass type="decimal" nil="true"/>
  <moldb-mono-mass type="decimal">816.10682</moldb-mono-mass>
  <origin nil="true"/>
  <state nil="true"/>
  <logp nil="true"/>
  <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>CHEM353657</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>54-chloro-13,26,39,52,53,55,56,57-octaza-54-gallatetradecacyclo[25.25.3.114,25.140,51.02,11.04,9.012,53.015,24.017,22.028,37.030,35.038,55.041,50.043,48]heptapentaconta-1,3,5,7,9,11,13,15,17,19,21,23,25(57),26,28,30,32,34,36,38,40(56),41,43,45,47,49,51-heptacosaene</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>Naphthalenes</klass>
  <subklass nil="true"/>
  <paper-count type="integer" nil="true"/>
  <sync-id>CED0308012</sync-id>
  <structure-inchikey>NNCKENWXWWOUHN-UHFFFAOYSA-M</structure-inchikey>
  <structure-fingerprint>10000000000000004000000000000000000000000000000000000000000000000000000000000200000008002002002000000000000000000000000000000000080000000000000000000000000020000000000000000000000000000800000000000000000000000000180100000000020010100000000000000050000000000000800000001800000000000000000000000000100000000000000000000000000000100000000040000080008000000000000000000000000000000000000000000000000000000000000000010000010040000000000000280000000000000000001000001000040000000002004000000000000000000000000000000</structure-fingerprint>
  <structure-pattern-fingerprint>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</structure-pattern-fingerprint>
  <structure-pickle>ï¾­Þ����������������:���G���€��@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���h���h���h���h���h��	h��
 
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  <structure-indexed-at type="dateTime">2026-09-19T05:55:29Z</structure-indexed-at>
</compound>
