Chem
J-GLOBAL ID:201607020877160692   Nikkaji number:J3.460.218B

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

3,3′,5,5′-テトラキス[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]-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: C124H142S2
Molecular formula furigana: C124-H142-S2
Molecular weight: 1696.620
InChI: InChI=1S/C124H142S2/c1-13-25-29-33-37-41-45-49-95-53-61-99(62-54-95)69-73-111-85-107(21-9)115(89-103(111)17-5)77-79-119-93-121(83-81-117-91-105(19-7)113(87-109(117)23-11)75-71-101-65-57-97(58-66-101)51-47-43-39-35-31-27-15-3)125-123(119)124-120(80-78-116-90-104(18-6)112(86-108(116)22-10)74-70-100-63-55-96(56-64-100)50-46-42-38-34-30-26-14-2)94-122(126-124)84-82-118-92-106(20-8)114(88-110(118)24-12)76-72-102-67-59-98(60-68-102)52-48-44-40-36-32-28-16-4/h53-68,85-94H,13-52H2,1-12H3
InChI key: FHFWIYVZWFMVKC-UHFFFAOYSA-N
SMILES: CCCCCCCCCc1ccc(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(CCCCCCCCC)cc1
Systematic name  (3):
  • 3,3′,5,5′-テトラキス[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]-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-ノニルフェニル)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-nonylphenyl)ethynyl]phenyl}ethynyl)-2,2'-bithiophene
Other name (1):
  • 3,3′,5,5′-Tetrakis[2,5-diethyl-4-(4-nonylphenylethynyl)phenylethynyl]-2,2′-bithiophene
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