345892 <common-name>2-(5-phenyltetrazol-1-yl)-2-(triphenyl-lambda5-phosphanylidene)acetonitrile</common-name> <description>2-(5-phenyltetrazol-1-yl)-2-(triphenyl-lambda5-phosphanylidene)acetonitrile is a compound with the formula C27H20N5P. It has an average molecular weight of 445.50 g/mol.</description> <cas nil="true"/> <pubchem-id>3800838</pubchem-id> <chemical-formula>C27H20N5P</chemical-formula> <weight>445.5</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">2026-08-31T08:56:06Z</created-at> <updated-at type="dateTime">2026-08-31T08:56:06Z</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=NN2C(=P(C3=CC=CC=C3)(C4=CC=CC=C4)C5=CC=CC=C5)C#N</moldb-smiles> <moldb-formula>C27H20N5P</moldb-formula> <moldb-inchi>InChI=1S/C27H20N5P/c28-21-26(32-27(29-30-31-32)22-13-5-1-6-14-22)33(23-15-7-2-8-16-23,24-17-9-3-10-18-24)25-19-11-4-12-20-25/h1-20H</moldb-inchi> <moldb-inchikey>RLLXGPLEJBOGNM-UHFFFAOYSA-N</moldb-inchikey> <moldb-average-mass type="decimal" nil="true"/> <moldb-mono-mass type="decimal">445.1456327</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp>5.2</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>CHEM341785</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>2-(5-phenyltetrazol-1-yl)-2-(triphenyl-lambda5-phosphanylidene)acetonitrile</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>Benzene and substituted derivatives</klass> <subklass>Phenylphosphines and derivatives</subklass> <paper-count type="integer" nil="true"/> <sync-id>CED0296246</sync-id> <structure-inchikey>RLLXGPLEJBOGNM-UHFFFAOYSA-N</structure-inchikey> <structure-fingerprint>8000000000000000000000000000000020000000000002080000000000000004100010000000000000000000000002004000000000000000000000800200010000000000000000000000000000000000000000020000000000000008000000000000200110000000010000000000000000000000100000000040000000000000000000000000000800000000000000000880000000100000000000000000000000000000000000000000000088000000000000000000000000000000000000000000000000002000000000000000000000000000000002000000220000001000000000000000000000040000000000000000000400000000000000001000000</structure-fingerprint> 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