<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <id type="integer">336372</id>
  <title nil="true"/>
  <common-name>5,11-diethyl-2,2-difluoro-4,6,10,12-tetramethyl-8-phenyl-1,3-diaza-2-boranuidatricyclo[7.3.0.03,7]dodeca-4,6,8,10-tetraene</common-name>
  <description>5,11-diethyl-2,2-difluoro-4,6,10,12-tetramethyl-8-phenyl-1,3-diaza-2-boranuidatricyclo[7.3.0.03,7]dodeca-4,6,8,10-tetraene is a compound with the formula C23H28BF2N2-. It has an average molecular weight of 381.30 g/mol.</description>
  <cas nil="true"/>
  <pubchem-id>124222830</pubchem-id>
  <chemical-formula>C23H28BF2N2-</chemical-formula>
  <weight>381.3</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">2026-08-30T18:51:37Z</created-at>
  <updated-at type="dateTime">2026-08-30T18:51:37Z</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>[B-]1(N2C(C(=C(C2=C(C3=C(C(=C(N31)C)CC)C)C4=CC=CC=C4)C)CC)C)(F)F</moldb-smiles>
  <moldb-formula>C23H28BF2N2-</moldb-formula>
  <moldb-inchi>InChI=1S/C23H28BF2N2/c1-7-19-14(3)22-21(18-12-10-9-11-13-18)23-15(4)20(8-2)17(6)28(23)24(25,26)27(22)16(19)5/h9-13,16H,7-8H2,1-6H3/q-1</moldb-inchi>
  <moldb-inchikey>LHEDULLAOJEZKY-UHFFFAOYSA-N</moldb-inchikey>
  <moldb-average-mass type="decimal" nil="true"/>
  <moldb-mono-mass type="decimal">381.2313604</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>CHEM332265</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>5,11-diethyl-2,2-difluoro-4,6,10,12-tetramethyl-8-phenyl-1,3-diaza-2-boranuidatricyclo[7.3.0.03,7]dodeca-4,6,8,10-tetraene</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>Pyrroles</klass>
  <subklass>Substituted pyrroles</subklass>
  <paper-count type="integer" nil="true"/>
  <sync-id>CED0286834</sync-id>
  <structure-inchikey>LHEDULLAOJEZKY-UHFFFAOYSA-N</structure-inchikey>
  <structure-fingerprint>800000000000000008008000000000000002000000080000000042000000000000002000000004000000000000000000000000002000000000000000000000000000000000000000000000000000000000008000000000000000000000000220000000000000000400000100000000000000000000100000000040000000840000000000000000940000000100000000000000000000000000040000000000000000080000000000000000000040000000008000000000010000000000200000002000000000000020000000002800400200020000000500000000000000000040000000000000800000000048000000000000002000</structure-fingerprint>
  <structure-pattern-fingerprint>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</structure-pattern-fingerprint>
  <structure-pickle>ï¾­Þ������������������������€�� "���ÿ���(�������`�������(�������(�������(�������(������@(������@(������@(������@(������@(�������`�������`�������`�������`������@(������@h�������@h�������@h�������@h�������@h��������`�������`�������`�������`�����	� ����	� ����������������(��� ��(��� ��h��	h�	
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	�����������������</structure-pickle>
  <structure-indexed-at type="dateTime">2026-09-19T05:37:49Z</structure-indexed-at>
</compound>
