96864 <common-name>Disodium 4,4'-(2,9-dimethyl-1,10-phenanthroline-4,7-diyl)bis(benzenesulphonate)</common-name> <description>Disodium 4,4'-(2,9-dimethyl-1,10-phenanthroline-4,7-diyl)bis(benzenesulphonate) belongs to the phenylquinolines, a subclass of quinolines and derivatives within the organic compounds. It is an organoheterocyclic compound with the formula C26H20N2O6S2. With an average molecular weight of 564.54 g/mol, Disodium 4,4'-(2,9-dimethyl-1,10-phenanthroline-4,7-diyl)bis(benzenesulphonate) is a heavy molecule.</description> <cas>106064-29-3</cas> <pubchem-id>170300</pubchem-id> <chemical-formula>C26H20N2O6S2</chemical-formula> <weight>520.6</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">2026-04-05T04:48:39Z</created-at> <updated-at type="dateTime">2026-08-22T05:56:02Z</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>[Na+].[Na+].CC1=NC2=C3N=C(C)C=C(C4=CC=C(C=C4)S([O-])(=O)=O)C3=CC=C2C(=C1)C1=CC=C(C=C1)S([O-])(=O)=O</moldb-smiles> <moldb-formula>C26H20N2O6S2</moldb-formula> <moldb-inchi>InChI=1/C26H20N2O6S2.2Na/c1-15-13-23(17-3-7-19(8-4-17)35(29,30)31)21-11-12-22-24(14-16(2)28-26(22)25(21)27-15)18-5-9-20(10-6-18)36(32,33)34;;/h3-14H,1-2H3,(H,29,30,31)(H,32,33,34);;/q;2*+1/p-2</moldb-inchi> <moldb-inchikey>CNUVEAGSJLUJCX-UHFFFAOYSA-L</moldb-inchikey> <moldb-average-mass type="decimal">564.54</moldb-average-mass> <moldb-mono-mass type="decimal">520.0762784</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp>4</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>CHEM092757</chemdb-id> <dsstox-id>DTXSID60889737</dsstox-id> <toxcast-id nil="true"/> <stoff-ident-origin nil="true"/> <stoff-ident-id nil="true"/> <susdat-id>NS00059072</susdat-id> <iupac>4-[2,9-dimethyl-7-(4-sulfophenyl)-1,10-phenanthrolin-4-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>Quinolines and derivatives</klass> <subklass>Phenylquinolines</subklass> <paper-count type="integer">0</paper-count> <sync-id>CED0116887</sync-id> <structure-inchikey>CNUVEAGSJLUJCX-UHFFFAOYSA-L</structure-inchikey> <structure-fingerprint>2000000000000000000000001000000028000002000000000000000000000000000000000000000000000000000000000000000000020000002000000001000000000000000000000000001100000000000100000800000000000000000000000000000000000000040000000000000000000000000800000000000040000000000000000000000040000000000040000080010000000000008000000080000000000800000000000000002000000000000000000000000000000002814000200000000000000000000000001000040000000000008000000000400000000000000000000</structure-fingerprint> <structure-pattern-fingerprint>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</structure-pattern-fingerprint> <structure-pickle type="binary" encoding="base64">776t3gAAAAAQAAAAAwAAAAAAAAAmAAAAKAAAAIABCyAKAAAAAQELIAoAAAAB AQYAYAAAAAEDBkAoAAAAAwQHQCgAAAADAwZAKAAAAAMEBkAoAAAAAwQHQCgA AAADAwZAKAAAAAMEBgBgAAAAAQMGQGgAAAADAwEGQCgAAAADBAZAKAAAAAME BkBoAAAAAwMBBkBoAAAAAwMBBkAoAAAAAwQGQGgAAAADAwEGQGgAAAADAwEQ ACAAAAAGCCAiAAAA/wEIACgAAAADAggAKAAAAAMCBkAoAAAAAwQGQGgAAAAD AwEGQGgAAAADAwEGQCgAAAADBAZAKAAAAAMEBkBoAAAAAwMBBkAoAAAAAwQG QGgAAAADAwEGQGgAAAADAwEGQCgAAAADBAZAaAAAAAMDAQZAaAAAAAMDARAA IAAAAAYIICIAAAD/AQgAKAAAAAMCCAAoAAAAAwILAgMAAwRoDAQFaAwFBmgM BgdoDAcIaAwICQAICmgMCgtoDAsMIAwNaAwNDmgMDg9oDA8QaAwQEWgMDxIA EhMAEhQIAhIVCAILFmgMFhdoDBcYaAwYGWgMGRpoDBobaAwaHCAcHWgMHR5o DB4faAwfIGgMICFoDB8iACIjACIkCAIiJQgCGwNoDCEcaAwZBWgMFgZoDBEM aAxCBQAAAAYDGxoZBQQGBwgKCxYGBg0ODxARDAYXGBkFBhYGHR4fICEcFwQA AAAAAAAAFg== </structure-pickle> <structure-indexed-at type="dateTime">2026-09-19T04:37:17Z</structure-indexed-at> </compound>