46594 <common-name>1,4-bis[(2,6-diethyl-4-methylphenyl)amino]anthraquinone</common-name> <description nil="true"/> <cas>32724-62-2</cas> <pubchem-id>122937</pubchem-id> <chemical-formula>C36H38N2O2</chemical-formula> <weight>530.7</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">2016-06-03T13:20:44Z</created-at> <updated-at type="dateTime">2026-04-17T16:49:44Z</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>CCC1=CC(C)=CC(CC)=C1NC1=C2C(=O)C3=CC=CC=C3C(=O)C2=C(NC2=C(CC)C=C(C)C=C2CC)C=C1</moldb-smiles> <moldb-formula>C36H38N2O2</moldb-formula> <moldb-inchi>InChI=1S/C36H38N2O2/c1-7-23-17-21(5)18-24(8-2)33(23)37-29-15-16-30(38-34-25(9-3)19-22(6)20-26(34)10-4)32-31(29)35(39)27-13-11-12-14-28(27)36(32)40/h11-20,37-38H,7-10H2,1-6H3</moldb-inchi> <moldb-inchikey>IBABXJRXGSAJLQ-UHFFFAOYSA-N</moldb-inchikey> <moldb-average-mass type="decimal">530.712</moldb-average-mass> <moldb-mono-mass type="decimal">530.293328472</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp nil="true"/> <hmdb-id nil="true"/> <chembl-id nil="true"/> <chemspider-id>109582</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>CHEM045489</chemdb-id> <dsstox-id>DTXSID5067710</dsstox-id> <toxcast-id nil="true"/> <stoff-ident-origin>REACH</stoff-ident-origin> <stoff-ident-id>SI00008322</stoff-ident-id> <susdat-id>NS00005149</susdat-id> <iupac nil="true"/> <moldb-polar-surface-area>58.199999999999996</moldb-polar-surface-area> <moldb-refractivity>166.77459999999996</moldb-refractivity> <moldb-polarizability>62.66364848039078</moldb-polarizability> <moldb-rotatable-bond-count>8</moldb-rotatable-bond-count> <moldb-acceptor-count>4</moldb-acceptor-count> <moldb-donor-count>2</moldb-donor-count> <moldb-pka-strongest-acidic>18.850598793781593</moldb-pka-strongest-acidic> <moldb-pka-strongest-basic>0.3040701818517578</moldb-pka-strongest-basic> <moldb-physiological-charge>0</moldb-physiological-charge> <moldb-number-of-rings>5</moldb-number-of-rings> <moldb-alogps-logp>7.17</moldb-alogps-logp> <moldb-alogps-logs>-6.92</moldb-alogps-logs> <moldb-alogps-solubility>6.35e-05 g/l</moldb-alogps-solubility> </compound>