93653 <common-name>2-[4-(2-[1,1'-Biphenyl]-4-ylvinyl)phenyl]-5-tert-butylbenzoxazole</common-name> <description>2-[4-(2-[1,1'-Biphenyl]-4-ylvinyl)phenyl]-5-tert-butylbenzoxazole belongs to the stilbenes, a class of phenylpropanoids and polyketides within the organic compounds. It has the chemical formula C31H27NO and an average molecular weight of 429.56 g/mol.</description> <cas nil="true"/> <pubchem-id>6537951</pubchem-id> <chemical-formula>C31H27NO</chemical-formula> <weight nil="true"/> <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">2026-04-05T02:15:16Z</created-at> <updated-at type="dateTime">2026-04-05T02:15:16Z</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(C)(C)C1=CC=C2OC(=NC2=C1)C1=CC=C(C=CC2=CC=C(C=C2)C2=CC=CC=C2)C=C1</moldb-smiles> <moldb-formula>C31H27NO</moldb-formula> <moldb-inchi>InChI=1/C31H27NO/c1-31(2,3)27-19-20-29-28(21-27)32-30(33-29)26-17-13-23(14-18-26)10-9-22-11-15-25(16-12-22)24-7-5-4-6-8-24/h4-21H,1-3H3</moldb-inchi> <moldb-inchikey>SZWQPAIKUHNUMM-MDZDMXLPSA-N</moldb-inchikey> <moldb-average-mass type="decimal">429.563</moldb-average-mass> <moldb-mono-mass type="decimal">429.2092645</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp nil="true"/> <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>CHEM089546</chemdb-id> <dsstox-id>DTXSID7066015</dsstox-id> <toxcast-id nil="true"/> <stoff-ident-origin nil="true"/> <stoff-ident-id nil="true"/> <susdat-id>NS00055290</susdat-id> <iupac nil="true"/> <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>Phenylpropanoids and polyketides</superklass> <klass>Stilbenes</klass> <subklass nil="true"/> <paper-count type="integer">0</paper-count> <sync-id>CED0172253</sync-id> <structure-inchikey>SZWQPAIKUHNUMM-UHFFFAOYSA-N</structure-inchikey> <structure-fingerprint>40400000000000000000002000000000100000010000000000000000000000000000000000000000000000082004800000000000000000000000000000000000000000000000800000000000000001800000000200000080008000000000000000100000001000000000120000800000000040000000000000000000000000010040000000804000000000000000800000000100000000000000000000000000000000001000000000080000000040000000000000000000000000000400000000000000000800000000000000400000000000000000000200000000000000a00000000001000040000000000000000000000800000000000000004000</structure-fingerprint> 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