341569 <common-name>6-isocyano-18-phenyl-8-oxa-2,20,21-triazatetracyclo[12.6.1.13,7.015,19]docosa-1(21),3(22),4,6,10,14,19-heptaene</common-name> <description>6-isocyano-18-phenyl-8-oxa-2,20,21-triazatetracyclo[12.6.1.13,7.015,19]docosa-1(21),3(22),4,6,10,14,19-heptaene is a chemical compound with the formula C25H22N4O. It has an average molecular weight of 394.50 g/mol.</description> <cas nil="true"/> <pubchem-id>168266305</pubchem-id> <chemical-formula>C25H22N4O</chemical-formula> <weight>394.5</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">2026-08-31T02:05:52Z</created-at> <updated-at type="dateTime">2026-08-31T02:05:52Z</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>[C-]#[N+]C1=C2C=C(C=C1)NC3=NC(=C4CCC(C4=N3)C5=CC=CC=C5)CCC=CCO2</moldb-smiles> <moldb-formula>C25H22N4O</moldb-formula> <moldb-inchi>InChI=1S/C25H22N4O/c1-26-22-14-11-18-16-23(22)30-15-7-3-6-10-21-20-13-12-19(17-8-4-2-5-9-17)24(20)29-25(27-18)28-21/h2-5,7-9,11,14,16,19H,6,10,12-13,15H2,(H,27,28,29)</moldb-inchi> <moldb-inchikey>ADKBVTRMZBGEPJ-UHFFFAOYSA-N</moldb-inchikey> <moldb-average-mass type="decimal" nil="true"/> <moldb-mono-mass type="decimal">394.1793613</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp>4.9</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>CHEM337462</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-isocyano-18-phenyl-8-oxa-2,20,21-triazatetracyclo[12.6.1.13,7.015,19]docosa-1(21),3(22),4,6,10,14,19-heptaene</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 nil="true"/> <superklass nil="true"/> <klass nil="true"/> <subklass nil="true"/> <paper-count type="integer" nil="true"/> <sync-id>CED0291967</sync-id> <structure-inchikey>ADKBVTRMZBGEPJ-UHFFFAOYSA-N</structure-inchikey> <structure-fingerprint>4800000000000002000000040008000000000000008000000020000000080000000000000000000040002004000000000000c000000000010000000000000000000002020020000000000000228000410000100000000020000000000100000000000400000000001008000000000200000000000000000000001000000000080000008008002000c0001000000000000100004001000000000001000000000084000000000000080000000000000000000000002000000000010000008010000000000000000000000001000000000000000008200200000000000000000000000001000040000000600000000008000000000000000000000000</structure-fingerprint> 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