355309 <common-name>6-[4-[[4-[4-[[2-(5,7-disulfonaphthalen-2-yl)-5-methyl-3-oxo-1h-pyrazol-4-yl]diazenyl]-3-hydroxyphenyl]-2-hydroxyphenyl]diazenyl]-5-methyl-3-oxo-1h-pyrazol-2-yl]naphthalene-1,3-disulfonic acid</common-name> <description>6-[4-[[4-[4-[[2-(5,7-disulfonaphthalen-2-yl)-5-methyl-3-oxo-1h-pyrazol-4-yl]diazenyl]-3-hydroxyphenyl]-2-hydroxyphenyl]diazenyl]-5-methyl-3-oxo-1h-pyrazol-2-yl]naphthalene-1,3-disulfonic acid has the chemical formula C40H30N8O16S4. With an average molecular weight of 1,007 g/mol, 6-[4-[[4-[4-[[2-(5,7-disulfonaphthalen-2-yl)-5-methyl-3-oxo-1h-pyrazol-4-yl]diazenyl]-3-hydroxyphenyl]-2-hydroxyphenyl]diazenyl]-5-methyl-3-oxo-1h-pyrazol-2-yl]naphthalene-1,3-disulfonic acid is a heavy molecule.</description> <cas nil="true"/> <pubchem-id>163174</pubchem-id> <chemical-formula>C40H30N8O16S4</chemical-formula> <weight>1007</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">2026-08-31T23:45:45Z</created-at> <updated-at type="dateTime">2026-08-31T23:45:45Z</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>CC1=C(C(=O)N(N1)C2=CC3=CC(=CC(=C3C=C2)S(=O)(=O)O)S(=O)(=O)O)N=NC4=C(C=C(C=C4)C5=CC(=C(C=C5)N=NC6=C(NN(C6=O)C7=CC8=CC(=CC(=C8C=C7)S(=O)(=O)O)S(=O)(=O)O)C)O)O</moldb-smiles> <moldb-formula>C40H30N8O16S4</moldb-formula> <moldb-inchi>InChI=1S/C40H30N8O16S4/c1-19-37(39(51)47(45-19)25-5-7-29-23(11-25)13-27(65(53,54)55)17-35(29)67(59,60)61)43-41-31-9-3-21(15-33(31)49)22-4-10-32(34(50)16-22)42-44-38-20(2)46-48(40(38)52)26-6-8-30-24(12-26)14-28(66(56,57)58)18-36(30)68(62,63)64/h3-18,45-46,49-50H,1-2H3,(H,53,54,55)(H,56,57,58)(H,59,60,61)(H,62,63,64)</moldb-inchi> <moldb-inchikey>LWDSNKMGWPWUEH-UHFFFAOYSA-N</moldb-inchikey> <moldb-average-mass type="decimal" nil="true"/> <moldb-mono-mass type="decimal">1006.066262</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp>4.2</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>CHEM351202</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>6-[4-[[4-[4-[[2-(5,7-disulfonaphthalen-2-yl)-5-methyl-3-oxo-1h-pyrazol-4-yl]diazenyl]-3-hydroxyphenyl]-2-hydroxyphenyl]diazenyl]-5-methyl-3-oxo-1h-pyrazol-2-yl]naphthalene-1,3-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>Benzenoids</superklass> <klass>Benzene and substituted derivatives</klass> <subklass>Biphenyls and derivatives</subklass> <paper-count type="integer" 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