Chem
J-GLOBAL ID：201607012188870027   Nikkaji number：J3.460.217D

3,3′,5,5′-Tetrakis[2,5-diethyl-4-(4-heptylphenylethynyl)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： C116H126S2
Molecular formula furigana： C116-H126-S2
Molecular weight： 1584.400
InChI： InChI=1S/C116H126S2/c1-13-25-29-33-37-41-87-45-53-91(54-46-87)61-65-103-77-99(21-9)107(81-95(103)17-5)69-71-111-85-113(75-73-109-83-97(19-7)105(79-101(109)23-11)67-63-93-57-49-89(50-58-93)43-39-35-31-27-15-3)117-115(111)116-112(72-70-108-82-96(18-6)104(78-100(108)22-10)66-62-92-55-47-88(48-56-92)42-38-34-30-26-14-2)86-114(118-116)76-74-110-84-98(20-8)106(80-102(110)24-12)68-64-94-59-51-90(52-60-94)44-40-36-32-28-16-4/h45-60,77-86H,13-44H2,1-12H3
InChI key： BHYZBFHPBBKUIV-UHFFFAOYSA-N
SMILES： CCCCCCCc1ccc(cc1)C#Cc1cc(CC)c(cc1CC)C#Cc1cc(C#Cc2cc(CC)c(cc2CC)C#Cc2ccc(CCCCCCC)cc2)c(s1)c1sc(cc1C#Cc1cc(CC)c(cc1CC)C#Cc1ccc(CCCCCCC)cc1)C#Cc1cc(CC)c(cc1CC)C#Cc1ccc(CCCCCCC)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-heptylphenyl)ethynyl]phenyl}ethynyl)-2,2'-bithiophene
Other name (1)：
  • 3,3′,5,5′-Tetrakis[2,5-diethyl-4-(4-heptylphenylethynyl)phenylethynyl]-2,2′-bithiophene
Thsaurus map：
Thesaurus Map

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