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CHEBI:142414 - 6,12-dimethyldibenzo[d,d']benzo[1,2-b:4,5-b']bisthiophene

ChEBI IDCHEBI:142414
ChEBI Name6,12-dimethyldibenzo[d,d']benzo[1,2-b:4,5-b']bisthiophene
Stars
ASCII Name6,12-dimethyldibenzo[d,d']benzo[1,2-b:4,5-b']bisthiophene
DefinitionAn organic heteropentacyclic compound that is p-xylene in which the 2-3 and 5-6 bonds of the benzene ring have each been fused with the b edge of a benzothiophene moiety.
Last Modified10 October 2018
SubmitterGareth Owen
DownloadsMolfile
FormulaC20H14S2
Net Charge0
Average Mass318.466
Monoisotopic Mass318.05369
SMILESCc1c2sc3ccccc3c2c(C)c2sc3ccccc3c12
InChIInChI=1S/C20H14S2/c1-11-17-13-7-3-5-9-15(13)22-20(17)12(2)18-14-8-4-6-10-16(14)21-19(11)18/h3-10H,1-2H3
InChIKeySMSBYNWSDGBVOO-UHFFFAOYSA-N
Roles Classification
Biological Role:
mutagen  An agent that increases the frequency of mutations above the normal background level, usually by interacting directly with DNA and causing it damage, including base substitution.
ChEBI Ontology
Outgoing Relation(s)
6,12-dimethyldibenzo[d,d']benzo[1,2-b:4,5-b']bisthiophene (CHEBI:142414) has role mutagen (CHEBI:25435)
6,12-dimethyldibenzo[d,d']benzo[1,2-b:4,5-b']bisthiophene (CHEBI:142414) is a organic heteropentacyclic compound (CHEBI:38164)
6,12-dimethyldibenzo[d,d']benzo[1,2-b:4,5-b']bisthiophene (CHEBI:142414) is a organosulfur heterocyclic compound (CHEBI:38106)
IUPAC Name 
6,12-dimethyldibenzo[d,d']benzo[1,2-b:4,5-b']bisthiophene
Synonym  Source
6,12-dimethylbenzo[1,2-b:4,5-b']dithionaphtheneChemIDplus
Registry NumbersSources
Reaxys:32953Reaxys
CAS:37750-86-0ChemIDplus
Citations