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CHEBI:51122 - 4,4-difluoro-8-(4-iodophenyl)-1,3,5,7-tetramethyl-4-bora-3a,4a-diaza-s-indacene

ChEBI IDCHEBI:51122
ChEBI Name4,4-difluoro-8-(4-iodophenyl)-1,3,5,7-tetramethyl-4-bora-3a,4a-diaza-s-indacene
Stars
ASCII Name4,4-difluoro-8-(4-iodophenyl)-1,3,5,7-tetramethyl-4-bora-3a,4a-diaza-s-indacene
Last Modified25 November 2008
SubmitterKirill Degtyarenko
DownloadsMolfile
FormulaC19H18BF2IN2
Net Charge0
Average Mass450.079
Monoisotopic Mass450.05758
SMILESCC1=CC(C)=[N+]2C1=C(c1ccc(I)cc1)c1c(C)cc(C)n1[B-]2(F)F
InChIInChI=1S/C19H18BF2IN2/c1-11-9-13(3)24-18(11)17(15-5-7-16(23)8-6-15)19-12(2)10-14(4)25(19)20(24,21)22/h5-10H,1-4H3
InChIKeyVPZZHCAOEMWMSI-UHFFFAOYSA-N
Roles Classification
Application:
dye 
ChEBI Ontology
Outgoing Relation(s)
4,4-difluoro-8-(4-iodophenyl)-1,3,5,7-tetramethyl-4-bora-3a,4a-diaza-s-indacene (CHEBI:51122) is a BODIPY dye (CHEBI:51123)
IUPAC Name 
{2-[(3,5-dimethyl-2H-pyrrol-2-ylidene-κN)(4-iodophenyl)methyl]-3,5-dimethyl-1H-pyrrolato-κN}(difluoro)boron
Registry NumbersSources
Beilstein:8442817Beilstein