<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <id type="integer">360253</id>
  <title nil="true"/>
  <common-name>4-[4-bis[2-tert-butyl-4-(5-tert-butyl-4-hydroxy-2-methylphenyl)sulfanyl-5-methylphenyl]phosphoryl-5-tert-butyl-2-methylphenyl]sulfanyl-2-tert-butyl-5-methylphenol</common-name>
  <description>4-[4-bis[2-tert-butyl-4-(5-tert-butyl-4-hydroxy-2-methylphenyl)sulfanyl-5-methylphenyl]phosphoryl-5-tert-butyl-2-methylphenyl]sulfanyl-2-tert-butyl-5-methylphenol has the chemical formula C66H87O4PS3. With an average molecular weight of 1,072 g/mol, 4-[4-bis[2-tert-butyl-4-(5-tert-butyl-4-hydroxy-2-methylphenyl)sulfanyl-5-methylphenyl]phosphoryl-5-tert-butyl-2-methylphenyl]sulfanyl-2-tert-butyl-5-methylphenol is a heavy molecule.</description>
  <cas>73179-39-2</cas>
  <pubchem-id>21151304</pubchem-id>
  <chemical-formula>C66H87O4PS3</chemical-formula>
  <weight>1071.6</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">2026-09-01T08:38:50Z</created-at>
  <updated-at type="dateTime">2026-09-01T08:38:50Z</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>CC1=CC(=C(C=C1SC2=CC(=C(C=C2C)P(=O)(C3=C(C=C(C(=C3)C)SC4=CC(=C(C=C4C)O)C(C)(C)C)C(C)(C)C)C5=C(C=C(C(=C5)C)SC6=CC(=C(C=C6C)O)C(C)(C)C)C(C)(C)C)C(C)(C)C)C(C)(C)C)O</moldb-smiles>
  <moldb-formula>C66H87O4PS3</moldb-formula>
  <moldb-inchi>InChI=1S/C66H87O4PS3/c1-37-25-49(67)43(61(7,8)9)31-55(37)72-58-34-46(64(16,17)18)52(28-40(58)4)71(70,53-29-41(5)59(35-47(53)65(19,20)21)73-56-32-44(62(10,11)12)50(68)26-38(56)2)54-30-42(6)60(36-48(54)66(22,23)24)74-57-33-45(63(13,14)15)51(69)27-39(57)3/h25-36,67-69H,1-24H3</moldb-inchi>
  <moldb-inchikey>KPKZVZIKEBUJMS-UHFFFAOYSA-N</moldb-inchikey>
  <moldb-average-mass type="decimal" nil="true"/>
  <moldb-mono-mass type="decimal">1070.550412</moldb-mono-mass>
  <origin nil="true"/>
  <state nil="true"/>
  <logp>21.4</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>CHEM356146</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>4-[4-bis[2-tert-butyl-4-(5-tert-butyl-4-hydroxy-2-methylphenyl)sulfanyl-5-methylphenyl]phosphoryl-5-tert-butyl-2-methylphenyl]sulfanyl-2-tert-butyl-5-methylphenol</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>Phenylphosphines and derivatives</subklass>
  <paper-count type="integer" nil="true"/>
  <sync-id>CED0310429</sync-id>
  <structure-inchikey>KPKZVZIKEBUJMS-UHFFFAOYSA-N</structure-inchikey>
  <structure-fingerprint>2800000000000000000080000020000000000000000000000000000000000010000000800000100000000000000002000000000000000080000000000000000000000020000000000000000000000000000000000400010000000000000000100800000000000000000000000000001000004000002040000003000000000000000000000000000000000000000000000000000000000000001000000000080100000100000000000400000000000000000000000040000000002100000000000000000000000000002000000000000008010000000000000000000040020000000000000000000000000000000000000000</structure-fingerprint>
  <structure-pattern-fingerprint>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</structure-pattern-fingerprint>
  <structure-pickle>ï¾­Þ����������������J���O���€���`������@(������@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;�%'�%(��)�)*h�*+h�+,h�,-h�-.h�-/�,0�01�12h�23h�34h�45h�56h�67�48 39�9:�9;�9&lt;�*=�=&gt;�=?�=@�
A�AB�AC�AD��E�EF�EG�EH��I ��h��h���h���h�.)h�61h�B������������	
������������������*+,-.)�234561����������</structure-pickle>
  <structure-indexed-at type="dateTime">2026-09-19T05:57:43Z</structure-indexed-at>
</compound>
