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CHEBI:51124 - 4,4-difluoro-1,3,5,7-tetramethyl-8-phenyl-4-bora-3a,4a-diaza-s-indacene

ChEBI IDCHEBI:51124
ChEBI Name4,4-difluoro-1,3,5,7-tetramethyl-8-phenyl-4-bora-3a,4a-diaza-s-indacene
Stars
ASCII Name4,4-difluoro-1,3,5,7-tetramethyl-8-phenyl-4-bora-3a,4a-diaza-s-indacene
Last Modified25 November 2008
SubmitterKirill Degtyarenko
DownloadsMolfile
FormulaC19H19BF2N2
Net Charge0
Average Mass324.183
Monoisotopic Mass324.16094
SMILESCC1=CC(C)=[N+]2C1=C(c1ccccc1)c1c(C)cc(C)n1[B-]2(F)F
InChIInChI=1S/C19H19BF2N2/c1-12-10-14(3)23-18(12)17(16-8-6-5-7-9-16)19-13(2)11-15(4)24(19)20(23,21)22/h5-11H,1-4H3
InChIKeyQFNRXPJMRSOECW-UHFFFAOYSA-N
Roles Classification
Application:
dye 
ChEBI Ontology
Outgoing Relation(s)
4,4-difluoro-1,3,5,7-tetramethyl-8-phenyl-4-bora-3a,4a-diaza-s-indacene (CHEBI:51124) is a BODIPY dye (CHEBI:51123)
IUPAC Name 
{2-[(3,5-dimethyl-2H-pyrrol-2-ylidene-κN)(phenyl)methyl]-3,5-dimethyl-1H-pyrrolato-κN}(difluoro)boron
Registry NumbersSources
Beilstein:8791276Beilstein