338875 <common-name>3-[6-bromo-2-[4-(diethylamino)phenyl]benzo[cd]indol-1-ium-1-yl]propanenitrile</common-name> <description>3-[6-bromo-2-[4-(diethylamino)phenyl]benzo[cd]indol-1-ium-1-yl]propanenitrile is a compound with the formula C24H23BrN3+. It has an average molecular weight of 433.40 g/mol.</description> <cas nil="true"/> <pubchem-id>169289</pubchem-id> <chemical-formula>C24H23BrN3+</chemical-formula> <weight>433.4</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">2026-08-30T22:02:23Z</created-at> <updated-at type="dateTime">2026-08-30T22:02:23Z</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>CCN(CC)C1=CC=C(C=C1)C2=[N+](C3=C4C2=CC=CC4=C(C=C3)Br)CCC#N</moldb-smiles> <moldb-formula>C24H23BrN3+</moldb-formula> <moldb-inchi>InChI=1S/C24H23BrN3/c1-3-27(4-2)18-11-9-17(10-12-18)24-20-8-5-7-19-21(25)13-14-22(23(19)20)28(24)16-6-15-26/h5,7-14H,3-4,6,16H2,1-2H3/q+1</moldb-inchi> <moldb-inchikey>BGBCQOAUTXDSAC-UHFFFAOYSA-N</moldb-inchikey> <moldb-average-mass type="decimal" nil="true"/> <moldb-mono-mass type="decimal">432.10754</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp>5.4</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>CHEM334768</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-[6-bromo-2-[4-(diethylamino)phenyl]benzo[cd]indol-1-ium-1-yl]propanenitrile</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 nil="true"/> <paper-count type="integer" nil="true"/> <sync-id>CED0289301</sync-id> <structure-inchikey>BGBCQOAUTXDSAC-UHFFFAOYSA-N</structure-inchikey> <structure-fingerprint>80000000000000000010000008040000000000000800000000000200000000000000c000000100000004000000000001000004000000000000000000000000000000000000080000000020000000000001800000000000400200000000004000000008004000800000000800000080000080080000000001000040000400c08000000000000000800000000000000040000000000000000000400000000000040000088000000000000000000000080000000000000000000000040000000008000100000000000001000400000000000200000000000000000000000000000040000000000010000000000000008000000000000001</structure-fingerprint> 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