355337 <common-name>3-[[4-[1-[4-[(1,7-dihydroxy-3-sulfonaphthalen-2-yl)diazenyl]-3-methoxyphenyl]cyclohexyl]-2-methoxyphenyl]diazenyl]-4,6-dihydroxynaphthalene-2-sulfonic acid</common-name> <description>3-[[4-[1-[4-[(1,7-dihydroxy-3-sulfonaphthalen-2-yl)diazenyl]-3-methoxyphenyl]cyclohexyl]-2-methoxyphenyl]diazenyl]-4,6-dihydroxynaphthalene-2-sulfonic acid has the chemical formula C40H36N4O12S2. With an average molecular weight of 828.90 g/mol, 3-[[4-[1-[4-[(1,7-dihydroxy-3-sulfonaphthalen-2-yl)diazenyl]-3-methoxyphenyl]cyclohexyl]-2-methoxyphenyl]diazenyl]-4,6-dihydroxynaphthalene-2-sulfonic acid is a heavy molecule.</description> <cas>94022-86-3</cas> <pubchem-id>160839</pubchem-id> <chemical-formula>C40H36N4O12S2</chemical-formula> <weight>828.9</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">2026-08-31T23:48:39Z</created-at> <updated-at type="dateTime">2026-08-31T23:48:39Z</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=C(C=CC(=C1)C2(CCCCC2)C3=CC(=C(C=C3)N=NC4=C(C=C5C=CC(=CC5=C4O)O)S(=O)(=O)O)OC)N=NC6=C(C=C7C=CC(=CC7=C6O)O)S(=O)(=O)O</moldb-smiles> <moldb-formula>C40H36N4O12S2</moldb-formula> <moldb-inchi>InChI=1S/C40H36N4O12S2/c1-55-32-18-24(8-12-30(32)41-43-36-34(57(49,50)51)16-22-6-10-26(45)20-28(22)38(36)47)40(14-4-3-5-15-40)25-9-13-31(33(19-25)56-2)42-44-37-35(58(52,53)54)17-23-7-11-27(46)21-29(23)39(37)48/h6-13,16-21,45-48H,3-5,14-15H2,1-2H3,(H,49,50,51)(H,52,53,54)</moldb-inchi> <moldb-inchikey>LREXSNYMCUVGLE-UHFFFAOYSA-N</moldb-inchikey> <moldb-average-mass type="decimal" nil="true"/> <moldb-mono-mass type="decimal">828.1771149</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp>8.2</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>CHEM351230</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-[1-[4-[(1,7-dihydroxy-3-sulfonaphthalen-2-yl)diazenyl]-3-methoxyphenyl]cyclohexyl]-2-methoxyphenyl]diazenyl]-4,6-dihydroxynaphthalene-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>CED0305589</sync-id> <structure-inchikey>LREXSNYMCUVGLE-UHFFFAOYSA-N</structure-inchikey> <structure-fingerprint>20002000000000000000000000000002000000000000000000300000000000400000000000000000000800020000000400800000000000000000000008000000000000000008000000008000002020000020000000000100000004000040000000000000010000000840000000100000000000021001000400000000000000000800000048000000000000000000000000200000000000040000000000000000000000004000000800044000080000001000000000000000090001400000000080040040000000002000000002000800400000000800000000000200000000000000000000000001000040000000000000000000000020000000000000000000</structure-fingerprint> 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������(�������(�������`�������(�������`�������(�������(������@(������@(������@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�/0h�01h�12h�23h�34 05 +6�67��68��69���h� ����h���h���h�3*h�2-h�B������������ �� �����������������������+,-23*�./012-����������</structure-pickle> <structure-indexed-at type="dateTime">2026-09-19T05:53:15Z</structure-indexed-at> </compound>