Chem
J-GLOBAL ID：200907003197142943   Nikkaji number：J1.609.701B

2,2′-(1,4-Phenylenebisethynylene)[3,3′-(1,4-phenylene)bis[ethynylene(2,3-thiophenediyl)ethynylene]bis(thiophene)]

2,2′-(1,4-フェニレンビスエチニレン)[3,3′-(1,4-フェニレン)ビス[エチニレン(2,3-チオフェンジイル)エチニレン]ビス(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： C40H16S4
Molecular formula furigana： C40-H16-S4
Molecular weight： 624.810
InChI： InChI=1S/C40H16S4/c1-2-30-4-3-29(1)9-17-37-33(21-25-41-37)13-14-35-23-27-43-39(35)19-11-31-5-7-32(8-6-31)12-20-40-36(24-28-44-40)16-15-34-22-26-42-38(34)18-10-30/h1-8,21-28H
InChI key： GZJFJWYTLMDVQH-UHFFFAOYSA-N
SMILES： c1cc2C#Cc3ccsc3C#Cc3ccc(cc3)C#Cc3sccc3C#Cc3ccsc3C#Cc3ccc(cc3)C#Cc2s1
Systematic name  (3)：
  • 2,2′-(1,4-フェニレンビスエチニレン)[3,3′-(1,4-フェニレン)ビス[エチニレン(2,3-チオフェンジイル)エチニレン]ビス(チオフェン)]
  • 5,14,25,34-テトラチアヘプタシクロ[36.2.2.218,21.04,8.011,15.024,28.031,35]テトラテトラコンタ-1(40),4(8),6,11(15),12,18,20,24(28),26,31(35),32,38,41,43-テトラデカエン-2,9,16,22,29,36-ヘキサイン
  • 5,14,25,34-tetrathiaheptacyclo[36.2.2.218,21.04,8.011,15.024,28.031,35]tetratetraconta-1(40),4(8),6,11(15),12,18,20,24(28),26,31(35),32,38,41,43-tetradecaen-2,9,16,22,29,36-hexayne
Other name (1)：
  • 2,2′-(1,4-Phenylenebisethynylene)[3,3′-(1,4-phenylene)bis[ethynylene(2,3-thiophenediyl)ethynylene]bis(thiophene)]
Thsaurus map：
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