<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <id type="integer">356193</id>
  <title nil="true"/>
  <common-name>3-[[4-[[4-[(4-amino-3-sulfophenyl)diazenyl]-6-sulfonaphthalen-1-yl]diazenyl]-6-sulfonaphthalen-1-yl]diazenyl]-7-benzamido-4-hydroxynaphthalene-2-sulfonic acid</common-name>
  <description>3-[[4-[[4-[(4-amino-3-sulfophenyl)diazenyl]-6-sulfonaphthalen-1-yl]diazenyl]-6-sulfonaphthalen-1-yl]diazenyl]-7-benzamido-4-hydroxynaphthalene-2-sulfonic acid has the chemical formula C43H30N8O14S4. With an average molecular weight of 1,011 g/mol, 3-[[4-[[4-[(4-amino-3-sulfophenyl)diazenyl]-6-sulfonaphthalen-1-yl]diazenyl]-6-sulfonaphthalen-1-yl]diazenyl]-7-benzamido-4-hydroxynaphthalene-2-sulfonic acid is a heavy molecule.</description>
  <cas>152061-87-5</cas>
  <pubchem-id>112393</pubchem-id>
  <chemical-formula>C43H30N8O14S4</chemical-formula>
  <weight>1011</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">2026-09-01T01:26:56Z</created-at>
  <updated-at type="dateTime">2026-09-01T01:26:56Z</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>C1=CC=C(C=C1)C(=O)NC2=CC3=CC(=C(C(=C3C=C2)O)N=NC4=C5C=CC(=CC5=C(C=C4)N=NC6=C7C=CC(=CC7=C(C=C6)N=NC8=CC(=C(C=C8)N)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O</moldb-smiles>
  <moldb-formula>C43H30N8O14S4</moldb-formula>
  <moldb-inchi>InChI=1S/C43H30N8O14S4/c44-34-13-7-26(20-39(34)68(60,61)62)46-47-37-16-14-35(30-11-8-27(21-32(30)37)66(54,55)56)48-49-38-17-15-36(31-12-9-28(22-33(31)38)67(57,58)59)50-51-41-40(69(63,64)65)19-24-18-25(6-10-29(24)42(41)52)45-43(53)23-4-2-1-3-5-23/h1-22,52H,44H2,(H,45,53)(H,54,55,56)(H,57,58,59)(H,60,61,62)(H,63,64,65)</moldb-inchi>
  <moldb-inchikey>LGNMZYKFKGHAET-UHFFFAOYSA-N</moldb-inchikey>
  <moldb-average-mass type="decimal" nil="true"/>
  <moldb-mono-mass type="decimal">1010.076432</moldb-mono-mass>
  <origin nil="true"/>
  <state nil="true"/>
  <logp>6.3</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>CHEM352086</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>3-[[4-[[4-[(4-amino-3-sulfophenyl)diazenyl]-6-sulfonaphthalen-1-yl]diazenyl]-6-sulfonaphthalen-1-yl]diazenyl]-7-benzamido-4-hydroxynaphthalene-2-sulfonic 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>Benzenoids</superklass>
  <klass>Naphthalenes</klass>
  <subklass>1,1'-azonaphthalenes</subklass>
  <paper-count type="integer" nil="true"/>
  <sync-id>CED0306443</sync-id>
  <structure-inchikey>LGNMZYKFKGHAET-UHFFFAOYSA-N</structure-inchikey>
  <structure-fingerprint>2000000000000000000000000002000000000000008180200000000000000010000000000001000000020000000004800000000000000000000082000000000000000000000000008000002020000020000020000000001004000000000000000000010000000810000000100000000200001000000400000000000000000000000000000000800000000000000080001000010100001000000000000020000000000000000800040000084000000100000000004000088001400000008820040000000000002000000000000002400080000000000004000200000000201000008000000003000040000000000400000000000000204000000000000000</structure-fingerprint>
  <structure-pattern-fingerprint>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</structure-pattern-fingerprint>
  <structure-pickle>ï¾­Þ����������������E���L���€��@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��� ��(��� �	 	
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  <structure-indexed-at type="dateTime">2026-09-19T05:54:01Z</structure-indexed-at>
</compound>
