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CHEBI:59940 - 9',9'-bis{4-[bis(2-hydroxyethyl)amino]phenyl}-9,9,9'',9''-tetrahexyl-9H,9'H,9''H-2,2':7',2''-terfluorene

ChEBI IDCHEBI:59940
ChEBI Name9',9'-bis{4-[bis(2-hydroxyethyl)amino]phenyl}-9,9,9'',9''-tetrahexyl-9H,9'H,9''H-2,2':7',2''-terfluorene
Stars
ASCII Name9',9'-bis{4-[bis(2-hydroxyethyl)amino]phenyl}-9,9,9'',9''-tetrahexyl-9H,9'H,9''H-2,2':7',2''-terfluorene
DefinitionAn amphipholic trifluorene having hexyl and N,N-bis(2-hydroxyethyl)aminophenyl side-chains.
Last Modified2 August 2010
SubmitterMarcus Ennis
DownloadsMolfile
FormulaC83H100N2O4
Net Charge0
Average Mass1189.723
Monoisotopic Mass1188.76831
SMILESCCCCCCC1(CCCCCC)c2ccccc2-c2ccc(-c3ccc4c(c3)C(c3ccc(N(CCO)CCO)cc3)(c3ccc(N(CCO)CCO)cc3)c3cc(-c5ccc6c(c5)C(CCCCCC)(CCCCCC)c5ccccc5-6)ccc3-4)cc21
InChIInChI=1S/C83H100N2O4/c1-5-9-13-21-45-81(46-22-14-10-6-2)75-27-19-17-25-69(75)71-41-29-61(57-77(71)81)63-31-43-73-74-44-32-64(62-30-42-72-70-26-18-20-28-76(70)82(78(72)58-62,47-23-15-11-7-3)48-24-16-12-8-4)60-80(74)83(79(73)59-63,65-33-37-67(38-34-65)84(49-53-86)50-54-87)66-35-39-68(40-36-66)85(51-55-88)52-56-89/h17-20,25-44,57-60,86-89H,5-16,21-24,45-56H2,1-4H3
InChIKeyVTDYAXACNRTVEN-UHFFFAOYSA-N
Roles Classification
Chemical Role:
amphiphile  A surfactant molecule possessing both hydrophilic and lipophilic properties.
ChEBI Ontology
Outgoing Relation(s)
9',9'-bis{4-[bis(2-hydroxyethyl)amino]phenyl}-9,9,9'',9''-tetrahexyl-9H,9'H,9''H-2,2':7',2''-terfluorene (CHEBI:59940) has role amphiphile (CHEBI:59941)
9',9'-bis{4-[bis(2-hydroxyethyl)amino]phenyl}-9,9,9'',9''-tetrahexyl-9H,9'H,9''H-2,2':7',2''-terfluorene (CHEBI:59940) is a trifluorene (CHEBI:59939)
IUPAC Name 
2,2',2'',2'''-[(9,9,9'',9''-tetrahexyl-9H,9'H,9''H-[2,2':7',2''-terfluorene]-9',9'-diyl)bis(benzene-4,1-diylnitrilo)]tetraethanol
Registry NumbersSources
Beilstein:11856921Beilstein
Citations