<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <id type="integer">353602</id>
  <title nil="true"/>
  <common-name>5-anilino-9-(2-methoxyanilino)-7-phenylbenzo[a]phenazin-7-ium-4,10-disulfonic acid</common-name>
  <description>5-anilino-9-(2-methoxyanilino)-7-phenylbenzo[a]phenazin-7-ium-4,10-disulfonic acid is a chemical compound with the formula C35H27N4O7S2+. With an average molecular weight of 679.70 g/mol, 5-anilino-9-(2-methoxyanilino)-7-phenylbenzo[a]phenazin-7-ium-4,10-disulfonic acid is a heavy molecule.</description>
  <cas nil="true"/>
  <pubchem-id>175346</pubchem-id>
  <chemical-formula>C35H27N4O7S2+</chemical-formula>
  <weight>679.7</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">2026-08-31T20:36:16Z</created-at>
  <updated-at type="dateTime">2026-08-31T20:36:16Z</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>COC1=CC=CC=C1NC2=C(C=C3C(=C2)[N+](=C4C=C(C5=C(C4=N3)C=CC=C5S(=O)(=O)O)NC6=CC=CC=C6)C7=CC=CC=C7)S(=O)(=O)O</moldb-smiles>
  <moldb-formula>C35H27N4O7S2+</moldb-formula>
  <moldb-inchi>InChI=1S/C35H26N4O7S2/c1-46-31-17-9-8-16-25(31)37-27-19-29-26(21-33(27)48(43,44)45)38-35-24-15-10-18-32(47(40,41)42)34(24)28(36-22-11-4-2-5-12-22)20-30(35)39(29)23-13-6-3-7-14-23/h2-21H,1H3,(H3,36,37,40,41,42,43,44,45)/p+1</moldb-inchi>
  <moldb-inchikey>ONXYFDYFUVFADS-UHFFFAOYSA-O</moldb-inchikey>
  <moldb-average-mass type="decimal" nil="true"/>
  <moldb-mono-mass type="decimal">679.1321166</moldb-mono-mass>
  <origin nil="true"/>
  <state nil="true"/>
  <logp>6.8</logp>
  <hmdb-id nil="true"/>
  <chembl-id nil="true"/>
  <chemspider-id nil="true"/>
  <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>CHEM349495</chemdb-id>
  <dsstox-id nil="true"/>
  <toxcast-id nil="true"/>
  <stoff-ident-origin nil="true"/>
  <stoff-ident-id nil="true"/>
  <susdat-id nil="true"/>
  <iupac>5-anilino-9-(2-methoxyanilino)-7-phenylbenzo[a]phenazin-7-ium-4,10-disulfonic acid</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>Organoheterocyclic compounds</superklass>
  <klass>Diazanaphthalenes</klass>
  <subklass>Benzodiazines</subklass>
  <paper-count type="integer" nil="true"/>
  <sync-id>CED0303884</sync-id>
  <structure-inchikey>ONXYFDYFUVFADS-UHFFFAOYSA-O</structure-inchikey>
  <structure-fingerprint>80040004000000000000000000000000000200100000000000000400000000000000000000001020000002004800000000000000001000000100900000000000000000000008000000020000020000000000101000000000000000004000000010010000840000000100000020010000000000000000000800000000001000040000000804100000000102180000000880100000080000000000000000400000000000000040001080000002000000000000000080000000000080080000000040000000000000000000000000000008000000800000200000000001000000000000001002040000000000000000000000020008020000000020000</structure-fingerprint>
  <structure-pattern-fingerprint>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</structure-pattern-fingerprint>
  <structure-pickle>ï¾­Þ����������������0���6���€���`�������(������@(������@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���h���h���h����������������� �   !h�!"h�"#h�#$h�$%h��&amp; &amp;'h�'(h�()h�)*h�*+h�
,�,-��,.��,/���h��	h���h���h���h�% h�+&amp;h�B������������
���	���������������������!"#$% �'()*+&amp;����������</structure-pickle>
  <structure-indexed-at type="dateTime">2026-09-19T05:51:23Z</structure-indexed-at>
</compound>
