Chem
J-GLOBAL ID：201807012426199007   Nikkaji number：J3.694.861B

3,3′,5,5′-Tetrakis[2,5-diethyl-4-[4-(heptyloxy)phenylethynyl]phenylethynyl]-2,2′-bithiophene

3,3′,5,5′-テトラキス[2,5-ジエチル-4-[4-(ヘプチルオキシ)フェニルエチニル]フェニルエチニル]-2,2′-ビチオフェン
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： C116H126O4S2
Molecular formula furigana： C116-H126-O4-S2
Molecular weight： 1648.400
InChI： InChI=1S/C116H126O4S2/c1-13-25-29-33-37-73-117-109-63-45-87(46-64-109)41-53-99-77-95(21-9)103(81-91(99)17-5)57-59-107-85-113(71-61-105-83-93(19-7)101(79-97(105)23-11)55-43-89-49-67-111(68-50-89)119-75-39-35-31-27-15-3)121-115(107)116-108(60-58-104-82-92(18-6)100(78-96(104)22-10)54-42-88-47-65-110(66-48-88)118-74-38-34-30-26-14-2)86-114(122-116)72-62-106-84-94(20-8)102(80-98(106)24-12)56-44-90-51-69-112(70-52-90)120-76-40-36-32-28-16-4/h45-52,63-70,77-86H,13-40,73-76H2,1-12H3
InChI key： ILUOGQXPFLGQCK-UHFFFAOYSA-N
SMILES： CCCCCCCOc1ccc(cc1)C#Cc1cc(CC)c(cc1CC)C#Cc1cc(C#Cc2cc(CC)c(cc2CC)C#Cc2ccc(OCCCCCCC)cc2)c(s1)c1sc(cc1C#Cc1cc(CC)c(cc1CC)C#Cc1ccc(OCCCCCCC)cc1)C#Cc1cc(CC)c(cc1CC)C#Cc1ccc(OCCCCCCC)cc1
Systematic name  (3)：
  • 3,3′,5,5′-テトラキス[2,5-ジエチル-4-[4-(ヘプチルオキシ)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',5,5'-テトラキス[2-(2,5-ジエチル-4-{2-[4-(ヘプチルオキシ)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',5,5'-tetrakis[2-(2,5-diethyl-4-{2-[4-(heptyloxy)phenyl]ethynyl}phenyl)ethynyl]-2,2'-bithiophene
Other name (1)：
  • 3,3′,5,5′-Tetrakis[2,5-diethyl-4-[4-(heptyloxy)phenylethynyl]phenylethynyl]-2,2′-bithiophene
Thsaurus map：
Thesaurus Map

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