46498 <common-name>α,α-bis[4-(dimethylamino)phenyl]-4-(phenylamino)naphthalene-1-methanol</common-name> <description nil="true"/> <cas>6786-83-0</cas> <pubchem-id>81245</pubchem-id> <chemical-formula>C33H33N3O</chemical-formula> <weight>487.6</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">2016-06-03T13:12:56Z</created-at> <updated-at type="dateTime">2026-04-17T18:24:02Z</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>CN(C)C1=CC=C(C=C1)C(O)(C1=CC=C(C=C1)N(C)C)C1=CC=C(NC2=CC=CC=C2)C2=CC=CC=C12</moldb-smiles> <moldb-formula>C33H33N3O</moldb-formula> <moldb-inchi>InChI=1S/C33H33N3O/c1-35(2)27-18-14-24(15-19-27)33(37,25-16-20-28(21-17-25)36(3)4)31-22-23-32(30-13-9-8-12-29(30)31)34-26-10-6-5-7-11-26/h5-23,34,37H,1-4H3</moldb-inchi> <moldb-inchikey>WNDULEJVCPEASN-UHFFFAOYSA-N</moldb-inchikey> <moldb-average-mass type="decimal">487.647</moldb-average-mass> <moldb-mono-mass type="decimal">487.262362695</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp nil="true"/> <hmdb-id nil="true"/> <chembl-id nil="true"/> <chemspider-id>73302</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>CHEM045393</chemdb-id> <dsstox-id>DTXSID4064474</dsstox-id> <toxcast-id nil="true"/> <stoff-ident-origin>REACH</stoff-ident-origin> <stoff-ident-id>SI00008111</stoff-ident-id> <susdat-id>NS00011486</susdat-id> <iupac nil="true"/> <moldb-polar-surface-area>38.739999999999995</moldb-polar-surface-area> <moldb-refractivity>157.10510000000005</moldb-refractivity> <moldb-polarizability>57.45539314383573</moldb-polarizability> <moldb-rotatable-bond-count>7</moldb-rotatable-bond-count> <moldb-acceptor-count>4</moldb-acceptor-count> <moldb-donor-count>2</moldb-donor-count> <moldb-pka-strongest-acidic>13.011505089960377</moldb-pka-strongest-acidic> <moldb-pka-strongest-basic>5.027400793858722</moldb-pka-strongest-basic> <moldb-physiological-charge>0</moldb-physiological-charge> <moldb-number-of-rings>5</moldb-number-of-rings> <moldb-alogps-logp>6.86</moldb-alogps-logp> <moldb-alogps-logs>-6.15</moldb-alogps-logs> <moldb-alogps-solubility>3.43e-04 g/l</moldb-alogps-solubility> </compound>