79698 <common-name>1,4,5,8-Tetrakis((4-(1,1-dimethylethyl)phenyl)thio)anthraquinone</common-name> <description nil="true"/> <cas>84434-38-8</cas> <pubchem-id>16205489</pubchem-id> <chemical-formula>C54H56O2S4</chemical-formula> <weight nil="true"/> <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">2026-04-04T14:41:36Z</created-at> <updated-at type="dateTime">2026-04-04T14:41:36Z</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>CC(C)(C)C1=CC=C(SC2=C3C(=O)C4=C(SC5=CC=C(C=C5)C(C)(C)C)C=CC(SC5=CC=C(C=C5)C(C)(C)C)=C4C(=O)C3=C(SC3=CC=C(C=C3)C(C)(C)C)C=C2)C=C1</moldb-smiles> <moldb-formula>C54H56O2S4</moldb-formula> <moldb-inchi>InChI=1S/C54H56O2S4/c1-51(2,3)33-13-21-37(22-14-33)57-41-29-30-42(58-38-23-15-34(16-24-38)52(4,5)6)46-45(41)49(55)47-43(59-39-25-17-35(18-26-39)53(7,8)9)31-32-44(48(47)50(46)56)60-40-27-19-36(20-28-40)54(10,11)12/h13-32H,1-12H3</moldb-inchi> <moldb-inchikey>PQCMPESVEIOFCU-UHFFFAOYSA-N</moldb-inchikey> <moldb-average-mass type="decimal">865.28</moldb-average-mass> <moldb-mono-mass type="decimal">864.316314</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp nil="true"/> <hmdb-id nil="true"/> <chembl-id nil="true"/> <chemspider-id>15004525</chemspider-id> <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>CHEM075591</chemdb-id> <dsstox-id>DTXSID90233406</dsstox-id> <toxcast-id nil="true"/> <stoff-ident-origin nil="true"/> <stoff-ident-id nil="true"/> <susdat-id>NS00038510</susdat-id> <iupac>1,4,5,8-tetrakis[(4-tert-butylphenyl)sulfanyl]anthracene-9,10-dione</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"/> </compound>