10187 <common-name>Phenol, 2,2'-methylenebis(6-(2H-benzotriazol-2-yl)-4-(1,1,3,3-tetramethylbutyl)-</common-name> <description nil="true"/> <cas>103597-45-1</cas> <pubchem-id>3571576</pubchem-id> <chemical-formula>C41H50N6O2</chemical-formula> <weight>658.9</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">2016-05-19T02:57:54Z</created-at> <updated-at type="dateTime">2026-05-14T19:08:17Z</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>DB11262</drugbank-id> <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)CC(C)(C)C1=CC(CC2=C(O)C(=CC(=C2)C(C)(C)CC(C)(C)C)N2N=C3C=CC=CC3=N2)=C(O)C(=C1)N1N=C2C=CC=CC2=N1</moldb-smiles> <moldb-formula>C41H50N6O2</moldb-formula> <moldb-inchi>InChI=1S/C41H50N6O2/c1-38(2,3)24-40(7,8)28-20-26(36(48)34(22-28)46-42-30-15-11-12-16-31(30)43-46)19-27-21-29(41(9,10)25-39(4,5)6)23-35(37(27)49)47-44-32-17-13-14-18-33(32)45-47/h11-18,20-23,48-49H,19,24-25H2,1-10H3</moldb-inchi> <moldb-inchikey>FQUNFJULCYSSOP-UHFFFAOYSA-N</moldb-inchikey> <moldb-average-mass type="decimal">658.891</moldb-average-mass> <moldb-mono-mass type="decimal">658.399524874</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp>11.84</logp> <hmdb-id nil="true"/> <chembl-id nil="true"/> <chemspider-id>2808671</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>CHEM009082</chemdb-id> <dsstox-id>DTXSID2046703</dsstox-id> <toxcast-id nil="true"/> <stoff-ident-origin nil="true"/> <stoff-ident-id nil="true"/> <susdat-id>NS00004911</susdat-id> <iupac>2-(2H-1,2,3-benzotriazol-2-yl)-6-{[3-(2H-1,2,3-benzotriazol-2-yl)-2-hydroxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]methyl}-4-(2,4,4-trimethylpentan-2-yl)phenol</iupac> <moldb-polar-surface-area>101.88</moldb-polar-surface-area> <moldb-refractivity>220.17180000000002</moldb-refractivity> <moldb-polarizability>76.35274764676487</moldb-polarizability> <moldb-rotatable-bond-count>10</moldb-rotatable-bond-count> <moldb-acceptor-count>6</moldb-acceptor-count> <moldb-donor-count>2</moldb-donor-count> <moldb-pka-strongest-acidic>7.8011750397797694</moldb-pka-strongest-acidic> <moldb-pka-strongest-basic>-0.0822201000794367</moldb-pka-strongest-basic> <moldb-physiological-charge>0</moldb-physiological-charge> <moldb-number-of-rings>6</moldb-number-of-rings> <moldb-alogps-logp>8.65</moldb-alogps-logp> <moldb-alogps-logs>-6.16</moldb-alogps-logs> <moldb-alogps-solubility>4.58e-04 g/l</moldb-alogps-solubility> </compound>