<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <id type="integer">356783</id>
  <title nil="true"/>
  <common-name>8-[[4-[(4-sulfophenyl)diazenyl]phenyl]diazenyl]-5-[[6-sulfo-4-[[4-[(4-sulfophenyl)diazenyl]phenyl]diazenyl]naphthalen-1-yl]carbamoylamino]naphthalene-2-sulfonic acid</common-name>
  <description>8-[[4-[(4-sulfophenyl)diazenyl]phenyl]diazenyl]-5-[[6-sulfo-4-[[4-[(4-sulfophenyl)diazenyl]phenyl]diazenyl]naphthalen-1-yl]carbamoylamino]naphthalene-2-sulfonic acid has the chemical formula C45H32N10O13S4. With an average molecular weight of 1,049 g/mol, 8-[[4-[(4-sulfophenyl)diazenyl]phenyl]diazenyl]-5-[[6-sulfo-4-[[4-[(4-sulfophenyl)diazenyl]phenyl]diazenyl]naphthalen-1-yl]carbamoylamino]naphthalene-2-sulfonic acid is a heavy molecule.</description>
  <cas nil="true"/>
  <pubchem-id>172152</pubchem-id>
  <chemical-formula>C45H32N10O13S4</chemical-formula>
  <weight>1049.1</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">2026-09-01T03:29:06Z</created-at>
  <updated-at type="dateTime">2026-09-01T03:29:06Z</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(=CC=C1N=NC2=CC=C(C=C2)S(=O)(=O)O)N=NC3=C4C=C(C=CC4=C(C=C3)NC(=O)NC5=C6C=CC(=CC6=C(C=C5)N=NC7=CC=C(C=C7)N=NC8=CC=C(C=C8)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O</moldb-smiles>
  <moldb-formula>C45H32N10O13S4</moldb-formula>
  <moldb-inchi>InChI=1S/C45H32N10O13S4/c56-45(46-41-21-23-43(39-25-35(71(63,64)65)17-19-37(39)41)54-52-29-5-1-27(2-6-29)48-50-31-9-13-33(14-10-31)69(57,58)59)47-42-22-24-44(40-26-36(72(66,67)68)18-20-38(40)42)55-53-30-7-3-28(4-8-30)49-51-32-11-15-34(16-12-32)70(60,61)62/h1-26H,(H2,46,47,56)(H,57,58,59)(H,60,61,62)(H,63,64,65)(H,66,67,68)</moldb-inchi>
  <moldb-inchikey>AQTOWVAJNCRYCE-UHFFFAOYSA-N</moldb-inchikey>
  <moldb-average-mass type="decimal" nil="true"/>
  <moldb-mono-mass type="decimal">1048.103316</moldb-mono-mass>
  <origin nil="true"/>
  <state nil="true"/>
  <logp>7.1</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>CHEM352676</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>8-[[4-[(4-sulfophenyl)diazenyl]phenyl]diazenyl]-5-[[6-sulfo-4-[[4-[(4-sulfophenyl)diazenyl]phenyl]diazenyl]naphthalen-1-yl]carbamoylamino]naphthalene-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>Naphthalene sulfonic acids and derivatives</subklass>
  <paper-count type="integer" nil="true"/>
  <sync-id>CED0307033</sync-id>
  <structure-inchikey>AQTOWVAJNCRYCE-UHFFFAOYSA-N</structure-inchikey>
  <structure-fingerprint>2800000000800000000000000002000000000000000000200000000000000010000000000001000000020001000000000000000000000000000080000000000000000000000400008000000020000020000000000000001004000000000000000000010000000000000000100000000000001000000000000000000000000000000000000000000000000000000080000000000000000080000000000000000000000000000000040000081000000000000000000000088001000000008000000000000100000000000000000000000080000000000004000200000000200000008000000002800040000000000400000000000000000400000000000000</structure-fingerprint>
  <structure-pattern-fingerprint>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</structure-pattern-fingerprint>
  <structure-pickle type="binary" encoding="base64">776t3gAAAAAQAAAAAwAAAAAAAABIAAAATwAAAIABBkBoAAAAAwMBBkBoAAAA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</structure-pickle>
  <structure-indexed-at type="dateTime">2026-09-19T05:54:35Z</structure-indexed-at>
</compound>
