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CHEBI:82650 - BODIPY-3823

ChEBI IDCHEBI:82650
ChEBI NameBODIPY-3823
Stars
DefinitionA BODIPY compound that is 4,4-difluoro-4-bora-3a,4a-diaza-s-indacene substituted at position 5 by a methyl group and at position 3 by a 11-carboxyundecyl group.
Last Modified7 August 2014
SubmitterSteve
DownloadsMolfile
FormulaC22H31BF2N2O2
Net Charge0
Average Mass404.310
Monoisotopic Mass404.24467
SMILESCc1ccc2n1[B-](F)(F)[N+]1=C(CCCCCCCCCCCC(=O)O)C=CC1=C2
InChIInChI=1S/C22H31BF2N2O2/c1-18-13-14-20-17-21-16-15-19(27(21)23(24,25)26(18)20)11-9-7-5-3-2-4-6-8-10-12-22(28)29/h13-17H,2-12H2,1H3,(H,28,29)
InChIKeyRHFBACKVNHUYNJ-UHFFFAOYSA-N
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
Application:
fluorochrome  A fluorescent dye used to stain biological specimens.
ChEBI Ontology
Outgoing Relation(s)
BODIPY-3823 (CHEBI:82650) has functional parent 4,4-difluoro-4-bora-3a,4a-diaza-s-indacene (CHEBI:51107)
BODIPY-3823 (CHEBI:82650) has role fluorochrome (CHEBI:51217)
BODIPY-3823 (CHEBI:82650) is a BODIPY compound (CHEBI:51108)
BODIPY-3823 (CHEBI:82650) is a monocarboxylic acid (CHEBI:25384)
IUPAC Name 
difluoro(12-{2-[(5-methyl-1H-pyrrol-2-yl-κN)methylene]-2H-pyrrol-5-yl-κN}dodecanoato)boron
Synonyms  Source
4,4-difluoro-5-methyl-4-bora-3a,4a-diaza-s-indacene-3-dodecanoic acidChEBI
C1-BODIPY 500/510 C12ChEBI
Citations