Chem
J-GLOBAL ID:201807003499045602
Nikkaji number:J3.694.859K
3,3′,5,5′-Tetrakis[2,5-diethyl-4-(4-octylphenylethynyl)phenylethynyl]-2,2′-bithiophene
3,3′,5,5′-テトラキス[2,5-ジエチル-4-(4-オク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
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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:
C120 H134 S2
Molecular formula furigana:
C120-H134-S2
Molecular weight:
1640.510
InChI:
InChI=1S/C120H134S2/c1-13-25-29-33-37-41-45-91-49-57-95(58-50-91)65-69-107-81-103(21-9)111(85-99(107)17-5)73-75-115-89-117(79-77-113-87-101(19-7)109(83-105(113)23-11)71-67-97-61-53-93(54-62-97)47-43-39-35-31-27-15-3)121-119(115)120-116(76-74-112-86-100(18-6)108(82-104(112)22-10)70-66-96-59-51-92(52-60-96)46-42-38-34-30-26-14-2)90-118(122-120)80-78-114-88-102(20-8)110(84-106(114)24-12)72-68-98-63-55-94(56-64-98)48-44-40-36-32-28-16-4/h49-64,81-90H,13-48H2,1-12H3
InChI key:
LPRRLEMNXDWITQ-UHFFFAOYSA-N
SMILES:
CCCCCCCCc1ccc(cc1)C#Cc1cc(CC)c(cc1CC)C#Cc1cc(C#Cc2cc(CC)c(cc2CC)C#Cc2ccc(CCCCCCCC)cc2)c(s1)c1sc(cc1C#Cc1cc(CC)c(cc1CC)C#Cc1ccc(CCCCCCCC)cc1)C#Cc1cc(CC)c(cc1CC)C#Cc1ccc(CCCCCCCC)cc1
Systematic name (3):
3,3′,5,5′-テトラキス[2,5-ジエチル-4-(4-オク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-オクチルフェニル)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-octylphenyl)ethynyl]phenyl}ethynyl)-2,2'-bithiophene
Other name (1):
3,3′,5,5′-Tetrakis[2,5-diethyl-4-(4-octylphenylethynyl)phenylethynyl]-2,2′-bithiophene
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