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CHEBI:52219 - PoPo-1

ChEBI IDCHEBI:52219
ChEBI NamePoPo-1
Stars
Last Modified31 March 2010
SubmitterInma Spiteri
DownloadsMolfile
FormulaC41H54N6O2.4I
Net Charge0
Average Mass1170.539
Monoisotopic Mass1170.04872
SMILES[H]C(=C1C=CN(CCC[N+](C)(C)CCC[N+](C)(C)CCCN2C=CC(=C([H])c3oc4ccccc4[n+]3C)C=C2)C=C1)c1oc2ccccc2[n+]1C.[I-].[I-].[I-].[I-]
InChIInChI=1S/C41H54N6O2.4HI/c1-42-36-14-7-9-16-38(36)48-40(42)32-34-18-24-44(25-19-34)22-11-28-46(3,4)30-13-31-47(5,6)29-12-23-45-26-20-35(21-27-45)33-41-43(2)37-15-8-10-17-39(37)49-41;;;;/h7-10,14-21,24-27,32-33H,11-13,22-23,28-31H2,1-6H3;4*1H/q+4;;;;/p-4
InChIKeyBOLJGYHEBJNGBV-UHFFFAOYSA-J
Roles Classification
Applications:
fluorochrome  A fluorescent dye used to stain biological specimens.
dye 
ChEBI Ontology
Outgoing Relation(s)
PoPo-1 (CHEBI:52219) has part PoPo-1(4+) (CHEBI:52887)
PoPo-1 (CHEBI:52219) has role fluorochrome (CHEBI:51217)
PoPo-1 (CHEBI:52219) is a cyanine dye (CHEBI:37960)
PoPo-1 (CHEBI:52219) is a organic iodide salt (CHEBI:50356)
IUPAC Name 
2,2'-{propane-1,3-diylbis[(dimethylazaniumdiyl)propane-3,1-diylpyridin-1-yl-4-ylidenemethylylidene]}bis(3-methyl-1,3-benzoxazol-3-ium) tetraiodide
Synonym  Source
Benzoxazolium, 2,2 -[1,3-propanediylbis[(dimethyliminio)-3,1-propanediyl- 1(4H)-pyridinyl-4-ylidenemethylidyne]]bis[3-methyl]- , tetraiodideChEBI