EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:78159 - 4,7-diphenyl-1,10-phenanthroline 4',4''-disulfonic acid

ChEBI IDCHEBI:78159
ChEBI Name4,7-diphenyl-1,10-phenanthroline 4',4''-disulfonic acid
Stars
DefinitionA member of the class of phenanthrolines that is 4,7-diphenyl-1,10-phenanthroline carrying two additional sulfo substituents at positions 4' and 4''
Last Modified6 July 2016
SubmitterSteve
DownloadsMolfile
FormulaC24H16N2O6S2
Net Charge0
Average Mass492.534
Monoisotopic Mass492.04498
SMILESO=S(=O)(O)c1ccc(-c2ccnc3c2ccc2c(-c4ccc(S(=O)(=O)O)cc4)ccnc23)cc1
InChIInChI=1S/C24H16N2O6S2/c27-33(28,29)17-5-1-15(2-6-17)19-11-13-25-23-21(19)9-10-22-20(12-14-26-24(22)23)16-3-7-18(8-4-16)34(30,31)32/h1-14H,(H,27,28,29)(H,30,31,32)
InChIKeyHGFIOWHPOGLXPU-UHFFFAOYSA-N
Roles Classification
Chemical Role:
ChEBI Ontology
Outgoing Relation(s)
4,7-diphenyl-1,10-phenanthroline 4',4''-disulfonic acid (CHEBI:78159) has parent hydride 4,7-diphenyl-1,10-phenanthroline (CHEBI:77995)
4,7-diphenyl-1,10-phenanthroline 4',4''-disulfonic acid (CHEBI:78159) has role iron chelator (CHEBI:38157)
4,7-diphenyl-1,10-phenanthroline 4',4''-disulfonic acid (CHEBI:78159) is a arenesulfonic acid (CHEBI:33555)
4,7-diphenyl-1,10-phenanthroline 4',4''-disulfonic acid (CHEBI:78159) is a phenanthrolines (CHEBI:48835)
IUPAC Name 
4,4'-(1,10-phenanthroline-4,7-diyl)dibenzenesulfonic acid
Synonyms  Source
bathophenanthroline disulfonic acidChEBI
bathophenanthroline 4',4''-disulfonic acidChEBI
Manual XrefsDatabases
CPD-8818MetaCyc
Registry NumbersSources
Reaxys:9091508Reaxys
Citations