Chem
J-GLOBAL ID：200907078931808752   Nikkaji number：J1.994.100K

3,3′-(Hexafluorocyclopentane-1,2-diylidene)-2,2′-bi[2,3-dihydro-2-(phenylethynyl)-5-phenylthiophene]

3,3′-(ヘキサフルオロシクロペンタン-1,2-ジイリデン)-2,2′-ビ[2,3-ジヒドロ-2-(フェニルエチニル)-5-フェニルチオフェン]
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： C41H22F6S2
Molecular formula furigana： C41-H22-F6-S2
Molecular weight： 692.740
InChI： InChI=1S/C41H22F6S2/c42-39(43)35-31-25-33(29-17-9-3-10-18-29)48-37(31,23-21-27-13-5-1-6-14-27)38(24-22-28-15-7-2-8-16-28)32(36(35)40(44,45)41(39,46)47)26-34(49-38)30-19-11-4-12-20-30/h1-20,25-26H
InChI key： DQSJLCFMLARFAD-UHFFFAOYSA-N
SMILES： FC1(F)C2=C3C=C(SC3(C#Cc3ccccc3)C3(SC(=CC3=C2C(F)(F)C1(F)F)c1ccccc1)C#Cc1ccccc1)c1ccccc1
Systematic name  (4)：
  • 2,7-ジフェニル-8a,8b-ビス(フェニルエチニル)-9,9,10,10,11,11-ヘキサフルオロ-4,5-プロパノ-8a,8b-ジヒドロベンゾ[2,1-b:3,4-b′]ジチオフェン
  • 3,3′-(ヘキサフルオロシクロペンタン-1,2-ジイリデン)-2,2′-ビ[2,3-ジヒドロ-2-(フェニルエチニル)-5-フェニルチオフェン]
  • 8,8,9,9,10,10-ヘキサフルオロ-4,14-ジフェニル-1,2-ビス(2-フェニルエチニル)-3,15-ジチアテトラシクロ[10.3.0.02,6.07,11]ペンタデカ-4,6,11,13-テトラエン
  • 8,8,9,9,10,10-hexafluoro-4,14-diphenyl-1,2-bis(2-phenylethynyl)-3,15-dithiatetracyclo[10.3.0.02,6.07,11]pentadeca-4,6,11,13-tetraene
Other name (2)：
  • 2,7-Diphenyl-8a,8b-bis(phenylethynyl)-9,9,10,10,11,11-hexafluoro-4,5-propano-8a,8b-dihydrobenzo[2,1-b:3,4-b′]dithiophene
  • 3,3′-(Hexafluorocyclopentane-1,2-diylidene)-2,2′-bi[2,3-dihydro-2-(phenylethynyl)-5-phenylthiophene]
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