<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <id type="integer">220712</id>
  <title nil="true"/>
  <common-name>4-[10,15-diphenyl-20-(4-sulfophenyl)-2,3,22,24-tetrahydroporphyrin-5-yl]benzenesulfonic acid</common-name>
  <description>4-[10,15-diphenyl-20-(4-sulfophenyl)-2,3,22,24-tetrahydroporphyrin-5-yl]benzenesulfonic acid belongs to the chlorins, a subclass of tetrapyrroles and derivatives within the organic compounds. It is an organoheterocyclic compound with the formula C44H32N4O6S2. With an average molecular weight of 776.90 g/mol, 4-[10,15-diphenyl-20-(4-sulfophenyl)-2,3,22,24-tetrahydroporphyrin-5-yl]benzenesulfonic acid is a heavy molecule.</description>
  <cas>501083-97-2</cas>
  <pubchem-id>44177671</pubchem-id>
  <chemical-formula>C44H32N4O6S2</chemical-formula>
  <weight>776.9</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">2026-08-22T14:41:24Z</created-at>
  <updated-at type="dateTime">2026-08-22T14:41:24Z</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 nil="true"/>
  <moldb-formula>C44H32N4O6S2</moldb-formula>
  <moldb-inchi>InChI=1S/C44H32N4O6S2/c49-55(50,51)31-15-11-29(12-16-31)43-37-23-21-35(46-37)41(27-7-3-1-4-8-27)33-19-20-34(45-33)42(28-9-5-2-6-10-28)36-22-24-38(47-36)44(40-26-25-39(43)48-40)30-13-17-32(18-14-30)56(52,53)54/h1-24,46-47H,25-26H2,(H,49,50,51)(H,52,53,54)</moldb-inchi>
  <moldb-inchikey>MVBCOYVJSZKRIV-UHFFFAOYSA-N</moldb-inchikey>
  <moldb-average-mass type="decimal">776.9</moldb-average-mass>
  <moldb-mono-mass type="decimal">776.1763271</moldb-mono-mass>
  <origin nil="true"/>
  <state nil="true"/>
  <logp>7.7</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>CHEM216605</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>4-[10,15-diphenyl-20-(4-sulfophenyl)-2,3,22,24-tetrahydroporphyrin-5-yl]benzenesulfonic 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>Tetrapyrroles and derivatives</klass>
  <subklass>Chlorins</subklass>
  <paper-count type="integer">0</paper-count>
  <sync-id>CED0090281</sync-id>
  <structure-inchikey nil="true"/>
  <structure-fingerprint nil="true"/>
  <structure-pattern-fingerprint nil="true"/>
  <structure-pickle type="binary" nil="true" encoding="base64"/>
  <structure-indexed-at type="dateTime" nil="true"/>
</compound>
