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CHEBI:52692 - BODIPY R6G

ChEBI IDCHEBI:52692
ChEBI NameBODIPY R6G
Stars
DefinitionA BODIPY dye having a phenyl substituent at the 5-position and a (2-carboxyethyl) substituent at the 3-position.
Last Modified9 July 2009
SubmitterSteve
DownloadsMolfile
FormulaC18H15BF2N2O2
Net Charge0
Average Mass340.138
Monoisotopic Mass340.11946
SMILESO=C(O)CCC1=[N+]2C(=Cc3ccc(-c4ccccc4)n3[B-]2(F)F)C=C1
InChIInChI=1S/C18H15BF2N2O2/c20-19(21)22-14(9-11-18(24)25)6-7-15(22)12-16-8-10-17(23(16)19)13-4-2-1-3-5-13/h1-8,10,12H,9,11H2,(H,24,25)
InChIKeyRFLLOBSXBJAGST-UHFFFAOYSA-N
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
Applications:
fluorochrome  A fluorescent dye used to stain biological specimens.
dye 
ChEBI Ontology
Outgoing Relation(s)
BODIPY R6G (CHEBI:52692) has functional parent 4,4-difluoro-4-bora-3a,4a-diaza-s-indacene (CHEBI:51107)
BODIPY R6G (CHEBI:52692) has role fluorochrome (CHEBI:51217)
BODIPY R6G (CHEBI:52692) is a BODIPY dye (CHEBI:51123)
BODIPY R6G (CHEBI:52692) is a monocarboxylic acid (CHEBI:25384)
IUPAC Name 
(3-{5-[(5-phenyl-2H-pyrrol-2-ylidene-κN)methyl]-1H-pyrrol-2-yl-κN}propanoato)(difluoro)boron
Synonym  Source
4,4-difluoro-5-phenyl-4-bora-3a,4a-diaza-s-indacene-3-propionic acidChEBI