EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:49431 - N,N'-(dipropyl)-tetramethylindodicarbocyanine

Default Structure
ChEBI IDCHEBI:49431
ChEBI NameN,N'-(dipropyl)-tetramethylindodicarbocyanine
Stars
DownloadsMolfile
FormulaC31H39N2O2
Net Charge+1
Average Mass471.665
Monoisotopic Mass471.30060
SMILES[H]OC([H])([H])C([H])([H])C([H])([H])N1/C(=C([H])/C([H])=C([H])\C([H])=C(/[H])C2=[N+](C([H])([H])C([H])([H])C([H])([H])O[H])c3c([H])c([H])c([H])c([H])c3C2(C([H])([H])[H])C([H])([H])[H])C(C([H])([H])[H])(C([H])([H])[H])c2c([H])c([H])c([H])c([H])c21
InChIInChI=1S/C31H39N2O2/c1-30(2)24-14-8-10-16-26(24)32(20-12-22-34)28(30)18-6-5-7-19-29-31(3,4)25-15-9-11-17-27(25)33(29)21-13-23-35/h5-11,14-19,34-35H,12-13,20-23H2,1-4H3/q+1
InChIKeyVFBDPICHYNKCQJ-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
N,N'-(dipropyl)-tetramethylindodicarbocyanine (CHEBI:49431) is a unclassifieds (CHEBI:27189)
Synonyms  Source
3-[(2S)-2-{(1E,3Z,5E)-5-[1-(3-hydroxypropyl)-3,3-dimethyl-1,3-dihydro-2H-indol-2-ylidene]penta-1,3-dien-1-yl}-3,3-dimethyl-2,3-dihydro-1H-indol-1-yl]propan-1-olPDBeChem
N,N'-(dipropyl)-tetramethylindodicarbocyaninePDBeChem
Manual XrefsDatabases
5CYPDBeChem