Chem
J-GLOBAL ID：201707000924661219   Nikkaji number：J3.621.842H

2,2′-Bi[3-[4-[(4-nonylphenyl)ethynyl]-3,6-diethylphenyl]ethynyl-5-[4-[(4-nonyloxyphenyl)ethynyl]-3,6-diethylphenyl]ethynylthiophene]

2,2′-ビ[3-[4-[(4-ノニルフェニル)エチニル]-3,6-ジエチルフェニル]エチニル-5-[4-[(4-ノニルオキシフェニル)エチニル]-3,6-ジエチルフェニル]エチニルチオフェン]
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： C124H142O2S2
Molecular formula furigana： C124-H142-O2-S2
Molecular weight： 1728.620
InChI： InChI=1S/C124H142O2S2/c1-13-25-29-33-37-41-45-49-95-51-55-97(56-52-95)59-67-109-85-105(21-9)113(89-101(109)17-5)71-73-117-93-121(81-75-115-91-103(19-7)111(87-107(115)23-11)69-61-99-63-77-119(78-64-99)125-83-47-43-39-35-31-27-15-3)127-123(117)124-118(74-72-114-90-102(18-6)110(86-106(114)22-10)68-60-98-57-53-96(54-58-98)50-46-42-38-34-30-26-14-2)94-122(128-124)82-76-116-92-104(20-8)112(88-108(116)24-12)70-62-100-65-79-120(80-66-100)126-84-48-44-40-36-32-28-16-4/h51-58,63-66,77-80,85-94H,13-50,83-84H2,1-12H3
InChI key： JBZRPYNQDKCOOS-UHFFFAOYSA-N
SMILES： CCCCCCCCCOc1ccc(cc1)C#Cc1cc(CC)c(cc1CC)C#Cc1cc(C#Cc2cc(CC)c(cc2CC)C#Cc2ccc(CCCCCCCCC)cc2)c(s1)c1sc(cc1C#Cc1cc(CC)c(cc1CC)C#Cc1ccc(CCCCCCCCC)cc1)C#Cc1cc(CC)c(cc1CC)C#Cc1ccc(OCCCCCCCCC)cc1
Systematic name  (4)：
  • 2,2′-ビ[3-[4-[(4-ノニルフェニル)エチニル]-3,6-ジエチルフェニル]エチニル-5-[4-[(4-ノニルオキシフェニル)エチニル]-3,6-ジエチルフェニル]エチニルチオフェン]
  • 3,3′-ビス[2,5-ジエチル-4-(4-ノニルフェニルエチニル)フェニルエチニル]-5,5′-ビス[2,5-ジエチル-4-[4-(ノニルオキシ)フェニルエチニル]フェニルエチニル]-2,2′-ビチオフェン
  • 3,3'-ビス(2-{2,5-ジエチル-4-[2-(4-ノニルフェニル)エチニル]フェニル}エチニル)-5,5'-ビス[2-(2,5-ジエチル-4-{2-[4-(ノニルオキシ)フェニル]エチニル}フェニル)エチニル]-2,2'-ビチオフェン
  • 3,3'-bis(2-{2,5-diethyl-4-[2-(4-nonylphenyl)ethynyl]phenyl}ethynyl)-5,5'-bis[2-(2,5-diethyl-4-{2-[4-(nonyloxy)phenyl]ethynyl}phenyl)ethynyl]-2,2'-bithiophene
Other name (2)：
  • 2,2′-Bi[3-[4-[(4-nonylphenyl)ethynyl]-3,6-diethylphenyl]ethynyl-5-[4-[(4-nonyloxyphenyl)ethynyl]-3,6-diethylphenyl]ethynylthiophene]
  • 3,3′-Bis[2,5-diethyl-4-(4-nonylphenylethynyl)phenylethynyl]-5,5′-bis[2,5-diethyl-4-[4-(nonyloxy)phenylethynyl]phenylethynyl]-2,2′-bithiophene
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