CHEBI:48302 - 7,10-bis(4-bromophenyl)-8,9-bis(4-octylphenyl)fluoranthene

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ChEBI Name 7,10-bis(4-bromophenyl)-8,9-bis(4-octylphenyl)fluoranthene
ChEBI ID CHEBI:48302
Definition An organobromine compound that is fluoranthene in which the hydrogens at positions 7 and 10 are substituted by 4-bromophenyl groups, while those at positions 8 and 9 are substituted by 4-octylphenyl groups.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
Download Molfile XML SDF
Formula C56H56Br2
Net Charge 0
Average Mass 888.85184
Monoisotopic Mass 886.27488
InChI InChI=1S/C56H56Br2/c1-3-5-7-9-11-13-17-39-23-27-42(28-24-39)51-52(43-29-25-40(26-30-43)18-14-12-10-8-6-4-2)54(45-33-37-47(58)38-34-45)56-49-22-16-20-41-19-15-21-48(50(41)49)55(56)53(51)44-31-35-46(57)36-32-44/h15-16,19-38H,3-14,17-18H2,1-2H3
InChIKey PPJKLKNFAIAUMU-UHFFFAOYSA-N
SMILES CCCCCCCCc1ccc(cc1)-c1c(-c2ccc(CCCCCCCC)cc2)c(-c2ccc(Br)cc2)c2-c3cccc4cccc(-c2c1-c1ccc(Br)cc1)c34
ChEBI Ontology
Outgoing 7,10-bis(4-bromophenyl)-8,9-bis(4-octylphenyl)fluoranthene (CHEBI:48302) has parent hydride fluoranthene (CHEBI:33083)
7,10-bis(4-bromophenyl)-8,9-bis(4-octylphenyl)fluoranthene (CHEBI:48302) is a organobromine compound (CHEBI:37141)
IUPAC Name
7,10-bis(4-bromophenyl)-8,9-bis(4-octylphenyl)fluoranthene
Synonym Source
7,10-bis-(4-bromo-phenyl)-8,9-bis-(4-octyl-phenyl)-fluoranthen Patent
Manual Xref Database
WO2006114364 Patent
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Last Modified
18 March 2011