Chem
J-GLOBAL ID:200907097250312338   Nikkaji number:J2.138.739H

5-[5′-(5-Bromo-2-thienyl)-4,3′-dioctyl-2,2′-bithiophene-5-yl]-5′-[5′-(4,4,5,5-tetramethyl-1,3,2-dioxaborolane-2-yl)-4,3′-dioctyl-2,2′-bithiophene-5-yl]-2,2′-bithiophene

5-[5′-(5-ブロモ-2-チエニル)-4,3′-ジオクチル-2,2′-ビチオフェン-5-イル]-5′-[5′-(4,4,5,5-テトラメチル-1,3,2-ジオキサボロラン-2-イル)-4,3′-ジオクチル-2,2′-ビチオフェン-5-イル]-2,2′-ビチオフェン
Substance type:
Substance type
Substance type classified into 3 categories.
Decided structure: Substances with a clear structure
Undicided Structure: Substances with unknown or undetermined structure
Mixtures: Mixtures, racemic compounds, or compounds with relative structural arrangements
Decided structure
Molecular formula: C66H90BBrO2S7
Molecular formula furigana: C66-H90-B-BR-O2-S7
Molecular weight: 1230.580
InChI: InChI=1S/C66H90BBrO2S7/c1-9-13-17-21-25-29-33-47-43-56(53-41-42-60(68)73-53)74-63(47)57-44-48(34-30-26-22-18-14-10-2)61(75-57)54-39-37-51(71-54)52-38-40-55(72-52)62-49(35-31-27-23-19-15-11-3)45-58(76-62)64-50(36-32-28-24-20-16-12-4)46-59(77-64)67-69-65(5,6)66(7,8)70-67/h37-46H,9-36H2,1-8H3
InChI key: QARQGIQPLZZPKS-UHFFFAOYSA-N
SMILES: CCCCCCCCc1cc(sc1c1cc(CCCCCCCC)c(s1)c1ccc(s1)c1ccc(s1)c1sc(cc1CCCCCCCC)c1sc(cc1CCCCCCCC)c1ccc(Br)s1)B1OC(C)(C)C(C)(C)O1
Systematic name  (3):
  • 5-[5′-(5-ブロモ-2-チエニル)-4,3′-ジオクチル-2,2′-ビチオフェン-5-イル]-5′-[5′-(4,4,5,5-テトラメチル-1,3,2-ジオキサボロラン-2-イル)-4,3′-ジオクチル-2,2′-ビチオフェン-5-イル]-2,2′-ビチオフェン
  • 2-{5-[5'-(5'-{5'-ブロモ-4-オクチル-[2,2'-ビチオフェン]-5-イル}-3'-オクチル-[2,2'-ビチオフェン]-5-イル)-3-オクチル-[2,2'-ビチオフェン]-5-イル]-4-オクチルチオフェン-2-イル}-4,4,5,5-テトラメチル-1,3,2-ジオキサボロラン
  • 2-{5-[5'-(5'-{5'-bromo-4-octyl-[2,2'-bithiophen]-5-yl}-3'-octyl-[2,2'-bithiophen]-5-yl)-3-octyl-[2,2'-bithiophen]-5-yl]-4-octylthiophen-2-yl}-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
Other name (1):
  • 5-[5′-(5-Bromo-2-thienyl)-4,3′-dioctyl-2,2′-bithiophene-5-yl]-5′-[5′-(4,4,5,5-tetramethyl-1,3,2-dioxaborolane-2-yl)-4,3′-dioctyl-2,2′-bithiophene-5-yl]-2,2′-bithiophene
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