Chem
J-GLOBAL ID：201507001017678285   Nikkaji number：J3.429.645F

2,6-Bis[4-octyl-5-[5-[3-octyl-5-[2-cyano-3-oxo-3-(2-ethylhexyloxy)-1-propenyl]-2-thienyl]thieno[3,2-b]thiophene-2-yl]-2-thienyl]-4,8-bis[5-(2-ethylhexyl)-2-thienyl]benzo[1,2-b:4,5-b′]dithiophene

2,6-ビス[4-オクチル-5-[5-[3-オクチル-5-[2-シアノ-3-オキソ-3-(2-エチルヘキシルオキシ)-1-プロペニル]-2-チエニル]チエノ[3,2-b]チオフェン-2-イル]-2-チエニル]-4,8-ビス[5-(2-エチルヘキシル)-2-チエニル]ベンゾ[1,2-b:4,5-b′]ジチオフェン
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： C118H152N2O4S12
Molecular formula furigana： C118-H152-N2-O4-S12
Molecular weight： 2047.240
InChI： InChI=1S/C118H152N2O4S12/c1-13-25-33-37-41-45-53-83-63-91(65-87(75-119)117(121)123-77-81(23-11)51-31-19-7)127-111(83)105-71-101-103(129-105)73-107(131-101)113-85(55-47-43-39-35-27-15-3)67-97(133-113)99-69-93-109(95-59-57-89(125-95)61-79(21-9)49-29-17-5)116-94(110(115(93)135-99)96-60-58-90(126-96)62-80(22-10)50-30-18-6)70-100(136-116)98-68-86(56-48-44-40-36-28-16-4)114(134-98)108-74-104-102(132-108)72-106(130-104)112-84(54-46-42-38-34-26-14-2)64-92(128-112)66-88(76-120)118(122)124-78-82(24-12)52-32-20-8/h57-60,63-74,79-82H,13-56,61-62,77-78H2,1-12H3
InChI key： HGIKRCYYUMHTBO-UHFFFAOYSA-N
SMILES： CCCCCCCCc1cc(C=C(C#N)C(=O)OCC(CC)CCCC)sc1c1cc2sc(cc2s1)c1sc(cc1CCCCCCCC)c1cc2c(c3ccc(CC(CC)CCCC)s3)c3sc(cc3c(c3ccc(CC(CC)CCCC)s3)c2s1)c1cc(CCCCCCCC)c(s1)c1cc2sc(cc2s1)c1sc(C=C(C#N)C(=O)OCC(CC)CCCC)cc1CCCCCCCC
Systematic name  (4)：
  • 2,6-ビス[4-オクチル-5-[5-[3-オクチル-5-[2-シアノ-3-オキソ-3-(2-エチルヘキシルオキシ)-1-プロペニル]-2-チエニル]チエノ[3,2-b]チオフェン-2-イル]-2-チエニル]-4,8-ビス[5-(2-エチルヘキシル)-2-チエニル]ベンゾ[1,2-b:4,5-b′]ジチオフェン
  • 3,3′-[4,8-ビス[5-(2-エチルヘキシル)-2-チエニル]ベンゾ[1,2-b:4,5-b′]ジチオフェン-2,6-ジイルビス[3-オクチル-5,2-チオフェンジイル(チエノ[3,2-b]チオフェン-5,2-ジイル)(4-オクチル-5,2-チオフェンジイル)]]ビス(2-シアノアクリル酸2-エチルヘキシル)
  • 2-エチルヘキシル 2-シアノ-3-(5-{5-[5-(11-{5-[5-(5-{2-シアノ-3-[(2-エチルヘキシル)オキシ]-3-オキソプロパ-1-エン-1-イル}-3-オクチルチオフェン-2-イル)チエノ[3,2-b]チオフェン-2-イル]-4-オクチルチオフェン-2-イル}-2,8-ビス[5-(2-エチルヘキシル)チオフェン-2-イル]-4,10-ジチアトリシクロ[7.3.0.03,7]ドデカ-1(9),2,5,7,11-ペンタエン-5-イル)-3-オクチルチオフェン-2-イル]チエノ[3,2-b]チオフェン-2-イル}-4-オクチルチオフェン-2-イル)プロパ-2-エノアート
  • 2-ethylhexyl 2-cyano-3-(5-{5-[5-(11-{5-[5-(5-{2-cyano-3-[(2-ethylhexyl)oxy]-3-oxoprop-1-en-1-yl}-3-octylthiophen-2-yl)thieno[3,2-b]thiophen-2-yl]-4-octylthiophen-2-yl}-2,8-bis[5-(2-ethylhexyl)thiophen-2-yl]-4,10-dithiatricyclo[7.3.0.03,7]dodeca-1(9),2,5,7,11-pentaen-5-yl)-3-octylthiophen-2-yl]thieno[3,2-b]thiophen-2-yl}-4-octylthiophen-2-yl)prop-2-enoate
Other name (2)：
  • 2,6-Bis[4-octyl-5-[5-[3-octyl-5-[2-cyano-3-oxo-3-(2-ethylhexyloxy)-1-propenyl]-2-thienyl]thieno[3,2-b]thiophene-2-yl]-2-thienyl]-4,8-bis[5-(2-ethylhexyl)-2-thienyl]benzo[1,2-b:4,5-b′]dithiophene
  • 3,3′-[4,8-Bis[5-(2-ethylhexyl)-2-thienyl]benzo[1,2-b:4,5-b′]dithiophene-2,6-diylbis[3-octyl-5,2-thiophenediyl(thieno[3,2-b]thiophene-5,2-diyl)(4-octyl-5,2-thiophenediyl)]]bis(2-cyanoacrylic acid 2-ethylhexyl) ester
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