Chem
J-GLOBAL ID：200907087580349712
Nikkaji number：J1.788.097G
5,5′,5′′,5′′′-[2,3-Thiophenediylbis(5,2,3-thiophenetriyl)]tetrakis[2,3-bis(5-hexyl-2-thienyl)thiophene]
5,5′,5′′,5′′′-[2,3-チオフェンジイルビス(5,2,3-チオフェントリイル)]テトラキス[2,3-ビス(5-ヘキシル-2-チエニル)チオフェン]
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
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
Molecular formula： C108H128S15
Molecular formula furigana： C108-H128-S15
Molecular weight： 1907.110
InChI：
InChI=1S/C108H128S15/c1-9-17-25-33-41-73-49-57-88(110-73)82-67-97(119-103(82)92-61-53-77(114-92)45-37-29-21-13-5)86-69-96(118-107(86)100-70-84(90-59-51-75(112-90)43-35-27-19-11-3)105(122-100)94-63-55-79(116-94)47-39-31-23-15-7)81-65-66-109-102(81)99-72-87(98-68-83(89-58-50-74(111-89)42-34-26-18-10-2)104(120-98)93-62-54-78(115-93)46-38-30-22-14-6)108(121-99)101-71-85(91-60-52-76(113-91)44-36-28-20-12-4)106(123-101)95-64-56-80(117-95)48-40-32-24-16-8/h49-72H,9-48H2,1-8H3
InChI key：
CYBQGYUCODRACQ-UHFFFAOYSA-N
SMILES：
CCCCCCc1ccc(s1)c1cc(sc1c1ccc(CCCCCC)s1)c1cc(sc1c1cc(c2ccc(CCCCCC)s2)c(s1)c1ccc(CCCCCC)s1)c1ccsc1c1cc(c2cc(c3ccc(CCCCCC)s3)c(s2)c2ccc(CCCCCC)s2)c(s1)c1cc(c2ccc(CCCCCC)s2)c(s1)c1ccc(CCCCCC)s1
Systematic name (3)：
- 5,5′,5′′,5′′′-[2,3-チオフェンジイルビス(5,2,3-チオフェントリイル)]テトラキス[2,3-ビス(5-ヘキシル-2-チエニル)チオフェン]
- 5'-{4',5'-ビス[5'-ヘキシル-3-(5-ヘキシルチオフェン-2-イル)-[2,2'-ビチオフェン]-5-イル]-[2,2'-ビチオフェン]-3-イル}-2'-[5'-ヘキシル-3-(5-ヘキシルチオフェン-2-イル)-[2,2'-ビチオフェン]-5-イル]-4,5-ビス(5-ヘキシルチオフェン-2-イル)-2,3'-ビチオフェン
- 5'-{4',5'-bis[5'-hexyl-3-(5-hexylthiophen-2-yl)-[2,2'-bithiophen]-5-yl]-[2,2'-bithiophen]-3-yl}-2'-[5'-hexyl-3-(5-hexylthiophen-2-yl)-[2,2'-bithiophen]-5-yl]-4,5-bis(5-hexylthiophen-2-yl)-2,3'-bithiophene
- 5,5′,5′′,5′′′-[2,3-Thiophenediylbis(5,2,3-thiophenetriyl)]tetrakis[2,3-bis(5-hexyl-2-thienyl)thiophene]
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