2,6-Dibromo-4,8-bis-(2-octyl-dodecyloxy)-1,5-dithia-s-indacene

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Organic Light-Emitting Diode (OLED) Materials

2,6-Dibromo-4,8-bis-(2-octyl-dodecyloxy)-1,5-dithia-s-indacene

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Catalog Number

ACMA00016195

Product Name

2,6-Dibromo-4,8-bis-(2-octyl-dodecyloxy)-1,5-dithia-s-indacene

Category

Organic Light-Emitting Diode (OLED) Materials

IUPAC Name

2,6-dibromo-4,8-bis(2-octyldodecoxy)thieno[2,3-f][1]benzothiole

Molecular Weight

941.1g/mol

Molecular Formula

C50H84Br2O2S2

Canonical SMILES

CCCCCCCCCCC(CCCCCCCC)COC1=C2C=C(SC2=C(C3=C1SC(=C3)Br)OCC(CCCCCCCC)CCCCCCCCCC)Br

InChI

InChI=1S/C50H84Br2O2S2/c1-5-9-13-17-21-23-27-31-35-41(33-29-25-19-15-11-7-3)39-53-47-43-37-45(51)56-50(43)48(44-38-46(52)55-49(44)47)54-40-42(34-30-26-20-16-12-8-4)36-32-28-24-22-18-14-10-6-2/h37-38,41-42H,5-36,39-40H2,1-4H3

InChI Key

GHLXDQOYRXLKHR-UHFFFAOYSA-N

Complexity

825

Covalently-Bonded Unit Count

Exact Mass

940.4259g/mol

Formal Charge

Heavy Atom Count

Monoisotopic Mass

938.42795g/mol

Rotatable Bond Count