Chem
J-GLOBAL ID：201807014021407810   Nikkaji number：J3.694.862K

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

3,3′,5,5′-テトラキス[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
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： C124H142O4S2
Molecular formula furigana： C124-H142-O4-S2
Molecular weight： 1760.620
InChI： InChI=1S/C124H142O4S2/c1-13-25-29-33-37-41-45-81-125-117-71-53-95(54-72-117)49-61-107-85-103(21-9)111(89-99(107)17-5)65-67-115-93-121(79-69-113-91-101(19-7)109(87-105(113)23-11)63-51-97-57-75-119(76-58-97)127-83-47-43-39-35-31-27-15-3)129-123(115)124-116(68-66-112-90-100(18-6)108(86-104(112)22-10)62-50-96-55-73-118(74-56-96)126-82-46-42-38-34-30-26-14-2)94-122(130-124)80-70-114-92-102(20-8)110(88-106(114)24-12)64-52-98-59-77-120(78-60-98)128-84-48-44-40-36-32-28-16-4/h53-60,71-78,85-94H,13-48,81-84H2,1-12H3
InChI key： RXDWEORNXKPLLO-UHFFFAOYSA-N
SMILES： CCCCCCCCCOc1ccc(cc1)C#Cc1cc(CC)c(cc1CC)C#Cc1cc(C#Cc2cc(CC)c(cc2CC)C#Cc2ccc(OCCCCCCCCC)cc2)c(s1)c1sc(cc1C#Cc1cc(CC)c(cc1CC)C#Cc1ccc(OCCCCCCCCC)cc1)C#Cc1cc(CC)c(cc1CC)C#Cc1ccc(OCCCCCCCCC)cc1
Systematic name  (3)：
  • 3,3′,5,5′-テトラキス[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',5,5'-テトラキス[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',5,5'-tetrakis[2-(2,5-diethyl-4-{2-[4-(nonyloxy)phenyl]ethynyl}phenyl)ethynyl]-2,2'-bithiophene
Other name (1)：
  • 3,3′,5,5′-Tetrakis[2,5-diethyl-4-[4-(nonyloxy)phenylethynyl]phenylethynyl]-2,2′-bithiophene
Thsaurus map：
Thesaurus Map

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