<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <id type="integer">350506</id>
  <title nil="true"/>
  <common-name>Bis(2-methylbutan-2-yl) 1,4-bis(4-chlorophenyl)-3,6-dioxopyrrolo[3,4-c]pyrrole-2,5-dicarboxylate</common-name>
  <description>Bis(2-methylbutan-2-yl) 1,4-bis(4-chlorophenyl)-3,6-dioxopyrrolo[3,4-c]pyrrole-2,5-dicarboxylate is a chemical compound with the formula C30H30Cl2N2O6. With an average molecular weight of 585.50 g/mol, Bis(2-methylbutan-2-yl) 1,4-bis(4-chlorophenyl)-3,6-dioxopyrrolo[3,4-c]pyrrole-2,5-dicarboxylate is a heavy molecule.</description>
  <cas>209129-65-7</cas>
  <pubchem-id>15404241</pubchem-id>
  <chemical-formula>C30H30Cl2N2O6</chemical-formula>
  <weight>585.5</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">2026-08-31T15:37:03Z</created-at>
  <updated-at type="dateTime">2026-08-31T15:37:03Z</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(C)(C)OC(=O)N1C(=C2C(=C(N(C2=O)C(=O)OC(C)(C)CC)C3=CC=C(C=C3)Cl)C1=O)C4=CC=C(C=C4)Cl</moldb-smiles>
  <moldb-formula>C30H30Cl2N2O6</moldb-formula>
  <moldb-inchi>InChI=1S/C30H30Cl2N2O6/c1-7-29(3,4)39-27(37)33-23(17-9-13-19(31)14-10-17)21-22(25(33)35)24(18-11-15-20(32)16-12-18)34(26(21)36)28(38)40-30(5,6)8-2/h9-16H,7-8H2,1-6H3</moldb-inchi>
  <moldb-inchikey>SEDXGGQZJPEEFO-UHFFFAOYSA-N</moldb-inchikey>
  <moldb-average-mass type="decimal" nil="true"/>
  <moldb-mono-mass type="decimal">584.1480921</moldb-mono-mass>
  <origin nil="true"/>
  <state nil="true"/>
  <logp>6.8</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>CHEM346399</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>Bis(2-methylbutan-2-yl) 1,4-bis(4-chlorophenyl)-3,6-dioxopyrrolo[3,4-c]pyrrole-2,5-dicarboxylate</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>Organoheterocyclic compounds</superklass>
  <klass>Pyrrolines</klass>
  <subklass>Phenylpyrrolines</subklass>
  <paper-count type="integer" nil="true"/>
  <sync-id>CED0300811</sync-id>
  <structure-inchikey>SEDXGGQZJPEEFO-UHFFFAOYSA-N</structure-inchikey>
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  <structure-indexed-at type="dateTime">2026-09-19T05:48:29Z</structure-indexed-at>
</compound>
