345945 <common-name>3,5-diphenyl-3,4,13-triazatetracyclo[12.4.0.02,6.07,12]octadeca-1(18),4,7,9,11,14,16-heptaene</common-name> <description>3,5-diphenyl-3,4,13-triazatetracyclo[12.4.0.02,6.07,12]octadeca-1(18),4,7,9,11,14,16-heptaene is a chemical compound with the formula C27H21N3. It has an average molecular weight of 387.50 g/mol.</description> <cas nil="true"/> <pubchem-id>3069655</pubchem-id> <chemical-formula>C27H21N3</chemical-formula> <weight>387.5</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">2026-08-31T09:05:58Z</created-at> <updated-at type="dateTime">2026-08-31T09:05:58Z</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>C1=CC=C(C=C1)C2=NN(C3C2C4=CC=CC=C4NC5=CC=CC=C35)C6=CC=CC=C6</moldb-smiles> <moldb-formula>C27H21N3</moldb-formula> <moldb-inchi>InChI=1S/C27H21N3/c1-3-11-19(12-4-1)26-25-21-15-7-9-17-23(21)28-24-18-10-8-16-22(24)27(25)30(29-26)20-13-5-2-6-14-20/h1-18,25,27-28H</moldb-inchi> <moldb-inchikey>QRRLOHLTSQNEFY-UHFFFAOYSA-N</moldb-inchikey> <moldb-average-mass type="decimal" nil="true"/> <moldb-mono-mass type="decimal">387.1735477</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp>6.3</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>CHEM341838</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>3,5-diphenyl-3,4,13-triazatetracyclo[12.4.0.02,6.07,12]octadeca-1(18),4,7,9,11,14,16-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>Organic compounds</kingdom> <superklass>Organoheterocyclic compounds</superklass> <klass>Benzazepines</klass> <subklass>Dibenzazepines</subklass> <paper-count type="integer" nil="true"/> <sync-id>CED0296299</sync-id> <structure-inchikey>QRRLOHLTSQNEFY-UHFFFAOYSA-N</structure-inchikey> <structure-fingerprint>8000000000000000000000000800000000000000000000000000000000010200400000000000000000100000000000008000000040000000001800000000000000000000000000000000000800000000000000000000000000000000000000000000000210000000000000000000010101000400c0000008000002000000000008000000001000000000010000000000002000000000000000000000800000000000000000400020000000000000000000000000000000000000000000000200000000000000000000002000000000000000000400000000000400000000000000000004000000a0000000000000000</structure-fingerprint> <structure-pattern-fingerprint>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</structure-pattern-fingerprint> <structure-pickle>ï¾­Þ��������������������#���€��@h�������@h�������@h�������@(������@h�������@h��������(�������(�������(�������`�������`������@(������@h�������@h�������@h�������@h�������@(�������h�������@(������@h�������@h�������@h�������@h�������@(������@(������@h�������@h�������@h�������@h�������@h���������h���h���h���h���h��� ��(��� � � � ����h�� h� �h���h���h��� �� ��h���h���h���h���h��� ��h���h���h���h���h���h� ��� ���h���h���h�B�������������� ��� �������� ��������������������������</structure-pickle> <structure-indexed-at type="dateTime">2026-09-19T05:44:49Z</structure-indexed-at> </compound>