347950 <common-name>N-(4-ethoxyphenyl)-4-(1-ethylbenzo[cd]indol-1-ium-2-yl)-n-methylaniline</common-name> <description>N-(4-ethoxyphenyl)-4-(1-ethylbenzo[cd]indol-1-ium-2-yl)-n-methylaniline is a chemical compound with the formula C28H27N2O+. It has an average molecular weight of 407.50 g/mol.</description> <cas nil="true"/> <pubchem-id>161856</pubchem-id> <chemical-formula>C28H27N2O+</chemical-formula> <weight>407.5</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">2026-08-31T11:48:36Z</created-at> <updated-at type="dateTime">2026-08-31T11:48:36Z</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>CC[N+]1=C(C2=CC=CC3=C2C1=CC=C3)C4=CC=C(C=C4)N(C)C5=CC=C(C=C5)OCC</moldb-smiles> <moldb-formula>C28H27N2O+</moldb-formula> <moldb-inchi>InChI=1S/C28H27N2O/c1-4-30-26-11-7-9-20-8-6-10-25(27(20)26)28(30)21-12-14-22(15-13-21)29(3)23-16-18-24(19-17-23)31-5-2/h6-19H,4-5H2,1-3H3/q+1</moldb-inchi> <moldb-inchikey>AYJKCMPPVPNXST-UHFFFAOYSA-N</moldb-inchikey> <moldb-average-mass type="decimal" nil="true"/> <moldb-mono-mass type="decimal">407.2123385</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp>6.6</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>CHEM343843</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>N-(4-ethoxyphenyl)-4-(1-ethylbenzo[cd]indol-1-ium-2-yl)-n-methylaniline</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>Organic nitrogen compounds</superklass> <klass>Organonitrogen compounds</klass> <subklass>Amines</subklass> <paper-count type="integer" nil="true"/> <sync-id>CED0298286</sync-id> <structure-inchikey>AYJKCMPPVPNXST-UHFFFAOYSA-N</structure-inchikey> <structure-fingerprint>400000000400800002000000000000100000000000000000000400000000000002000000200000008000000100000000000000000001000000000000000000000000000000000000000000000000000000000100000204000080000000000000000000000000000000004000800000000000000080000080080000000001000040000001808000000001000000900000000000000000020000000000000000400000000000000000080000000000000000080000000000000000000000000000000000000008000000000000000000000400010000000200000080001000000008000001000040000000002010000000000000008000000000000000</structure-fingerprint> <structure-pattern-fingerprint>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</structure-pattern-fingerprint> <structure-pickle type="binary" encoding="base64">776t3gAAAAAQAAAAAwAAAAAAAAAfAAAAIwAAAIABBgBgAAAAAQMGAGAAAAAC AgcgKgAAAAEDBAYAKAAAAAMEBkAoAAAAAwQGQGgAAAADAwEGQGgAAAADAwEG QGgAAAADAwEGQCgAAAADBAZAKAAAAAMEBkAoAAAAAwQGQGgAAAADAwEGQGgA AAADAwEGQGgAAAADAwEGQCgAAAADBAZAaAAAAAMDAQZAaAAAAAMDAQZAKAAA AAMEBkBoAAAAAwMBBkBoAAAAAwMBBwAoAAAAAwMGAGAAAAABAwZAKAAAAAME BkBoAAAAAwMBBkBoAAAAAwMBBkAoAAAAAwQGQGgAAAADAwEGQGgAAAADAwEI ACgAAAADAgYAYAAAAAICBgBgAAAAAQMLAAEAAQIAAgMoAgMEIAQFaAwFBmgM BgdoDAcIaAwICWgMCQpoDAoLaAwLDGgMDA1oDAMOIA4PaAwPEGgMEBFoDBES aAwSE2gMERQgFBUAFBYgFhdoDBcYaAwYGWgMGRpoDBobaAwZHCAcHQAdHgAK AiAJBGgMDQhoDBMOaAwbFmgMQgUAAAAFAgMECQoGBQYHCAkEBgsMDQgJCgYP EBESEw4GFxgZGhsWFwQAAAAAAAAAFg== </structure-pickle> <structure-indexed-at type="dateTime">2026-09-19T05:46:29Z</structure-indexed-at> </compound>