<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <id type="integer">81084</id>
  <title nil="true"/>
  <common-name>Alpha,alpha-Bis(4-(diethylamino)phenyl)-4-((4-ethoxyphenyl)amino)naphthalene-1-methanol</common-name>
  <description nil="true"/>
  <cas>94158-48-2</cas>
  <pubchem-id>11971301</pubchem-id>
  <chemical-formula>C39H45N3O2</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">2026-04-04T17:08:52Z</created-at>
  <updated-at type="dateTime">2026-04-04T17:08:52Z</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>CCOC1=CC=C(NC2=CC=C(C3=CC=CC=C23)C(O)(C2=CC=C(C=C2)N(CC)CC)C2=CC=C(C=C2)N(CC)CC)C=C1</moldb-smiles>
  <moldb-formula>C39H45N3O2</moldb-formula>
  <moldb-inchi>InChI=1S/C39H45N3O2/c1-6-41(7-2)32-21-15-29(16-22-32)39(43,30-17-23-33(24-18-30)42(8-3)9-4)37-27-28-38(36-14-12-11-13-35(36)37)40-31-19-25-34(26-20-31)44-10-5/h11-28,40,43H,6-10H2,1-5H3</moldb-inchi>
  <moldb-inchikey>ZINZGONCUCSXAE-UHFFFAOYSA-N</moldb-inchikey>
  <moldb-average-mass type="decimal">587.808</moldb-average-mass>
  <moldb-mono-mass type="decimal">587.351178</moldb-mono-mass>
  <origin nil="true"/>
  <state nil="true"/>
  <logp nil="true"/>
  <hmdb-id nil="true"/>
  <chembl-id nil="true"/>
  <chemspider-id>10144682</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>CHEM076977</chemdb-id>
  <dsstox-id>DTXSID10240834</dsstox-id>
  <toxcast-id nil="true"/>
  <stoff-ident-origin nil="true"/>
  <stoff-ident-id nil="true"/>
  <susdat-id>NS00040175</susdat-id>
  <iupac>bis[4-(diethylamino)phenyl]-[4-(4-ethoxyanilino)naphthalen-1-yl]methanol</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>Naphthalenes</klass>
  <subklass nil="true"/>
  <paper-count type="integer">0</paper-count>
  <sync-id>CED0160434</sync-id>
  <structure-inchikey>ZINZGONCUCSXAE-UHFFFAOYSA-N</structure-inchikey>
  <structure-fingerprint>800000000000400800002002000000000000000090100000000000400000002000002000000200000000000000000000000100000000000000000100000000000000000000000000000000100000000000000000100000200000000002000000000010010000010000000004000000000000800000080000000000000000000000040000400808000000000000080000000000100000080020000000040000000000000000000040000080000000040000000080000000000000000080000000000040000000000000000000000400001000000000000000200000000000000000000000000800040000000080000000000000000000000048000000001</structure-fingerprint>
  <structure-pattern-fingerprint>7014c4108d328270c9805b618138a2001a00148081072070803d20408a34e84e6c220050138000080100492840c08000046003a5e08d3625016e653980a04014c7118c811a80160000901240127a02000804c58055211f3340041c62440241040c28052f084c9220400c0480ddb4004d308680520101e5067118244002711a16504018084ef0820a08070250c82c0288391d181244c69e8a5003082060c0048401d3101310b0c2300a044960017c35144ac104028941084810904a304cc00212a01000e4c4d90333198084a0771142990c410010034070408d71028028000304903849341889092013480403d91620860250043080c2040e1108910052080602</structure-pattern-fingerprint>
  <structure-pickle>ï¾­Þ����������������,���0���€���`�������`�������(������@(������@h�������@h�������@(�������h�������@(������@h�������@h�������@(������@(������@h�������@h�������@h�������@h�������@(������� ������`������@(������@h�������@h�������@(������@h�������@h��������(�������`�������`�������`�������`������@(������@h�������@h�������@(������@h�������@h��������(�������`�������`�������`�������`������@h�������@h��������������� ��h���h���h��� �� �	h�	
h�
�h���h��h��h���h���h���h������������h���h���h���h���h��� ���������������� h� !h�!"h�"#h�#$h�"% %&amp;�&amp;'�%(�()��*h�*+h�+�h���h���h�$�h���h�B������+*����	
������������������ !"#$�����������</structure-pickle>
  <structure-indexed-at type="dateTime">2026-09-19T04:27:50Z</structure-indexed-at>
</compound>
