Chem
J-GLOBAL ID：200907011143798471   Nikkaji number：J2.167.927E

N-[4-[3-[4-[3-[1-(2-Methoxy-4-methyl-5-phenyl-3-thienyl)-3,3,4,4,5,5-hexafluorocyclopentene-2-yl]-2,4-dimethyl-5-thienyl]phenyl]-1-adamantyl]phenyl]-N′-(1-hexylheptyl)perylene-3,4:9,10-bis(dicarbimide)

N-[4-[5-[4-[3,5-ジメチル-4-[2-(2-メトキシ-4-メチル-5-フェニル-3-チエニル)-3,3,4,4,5,5-ヘキサフルオロ-1-シクロペンテニル]-2-チエニル]フェニル]アダマンタン-1-イル]フェニル]-N′-(1-ヘキシルヘプチル)-3,4:9,10-ペリレンビスジカルボイミド
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： C82H74F6N2O5S2
Molecular formula furigana： C82-H74-F6-N2-O5-S2
Molecular weight： 1345.610
InChI： InChI=1S/C82H74F6N2O5S2/c1-7-9-11-16-20-53(21-17-12-10-8-2)89-73(91)59-34-30-55-57-32-36-61-68-62(37-33-58(66(57)68)56-31-35-60(74(89)92)67(59)65(55)56)76(94)90(75(61)93)54-28-26-52(27-29-54)79-41-47-38-48(42-79)40-78(39-47,43-79)51-24-22-50(23-25-51)71-44(3)63(46(5)96-71)69-70(81(85,86)82(87,88)80(69,83)84)64-45(4)72(97-77(64)95-6)49-18-14-13-15-19-49/h13-15,18-19,22-37,47-48,53H,7-12,16-17,20-21,38-43H2,1-6H3/t47-,48+,78+,79-
InChI key： UUZRREBIWUVIDD-NKBZICRFSA-N
SMILES： CCCCCCC(CCCCCC)n1c(=O)c2ccc3c4ccc5c6c(ccc(c7ccc(c2c37)c1=O)c46)c(=O)n(c1ccc(cc1)[C@]12C[C@H]3C[C@H](C[C@](C3)(C1)c1ccc(cc1)c1sc(C)c(C3=C(c4c(C)c(sc4OC)c4ccccc4)C(F)(F)C(F)(F)C3(F)F)c1C)C2)c5=O
Systematic name  (7)：
  • N-[4-[5-[4-[3,5-ジメチル-4-[2-(2-メトキシ-4-メチル-5-フェニル-3-チエニル)-3,3,4,4,5,5-ヘキサフルオロ-1-シクロペンテニル]-2-チエニル]フェニル]アダマンタン-1-イル]フェニル]-N′-(1-ヘキシルヘプチル)-3,4:9,10-ペリレンビスジカルボイミド
  • N-[4-[3-[4-[4-[2-(2-メトキシ-4-メチル-5-フェニル-3-チエニル)-3,3,4,4,5,5-ヘキサフルオロシクロペンテン-1-イル]-3,5-ジメチル-2-チエニル]フェニル]-1-アダマンチル]フェニル]-N′-(1-ヘキシルヘプチル)ペリレン-3,4:9,10-ビス(ジカルボイミド)
  • N-[4-[3-[4-[3-[1-(2-メトキシ-4-メチル-5-フェニル-3-チエニル)-3,3,4,4,5,5-ヘキサフルオロシクロペンテン-2-イル]-2,4-ジメチル-5-チエニル]フェニル]-1-アダマンチル]フェニル]-N′-(1-ヘキシルヘプチル)ペリレン-3,4:9,10-ビス(ジカルボイミド)
  • N-[4-[3-[4-[3-[2-(2-メトキシ-4-メチル-5-フェニル-3-チエニル)-3,3,4,4,5,5-ヘキサフルオロシクロペンテン-1-イル]-2,4-ジメチルチオフェン-5-イル]フェニル]-1-アダマンチル]フェニル]-N′-(1-ヘキシルヘプチル)ペリレン-3,4:9,10-ビス(ジカルボイミド)
  • 2-[4-[3-[4-[4-[2-(5-フェニル-2-メトキシ-4-メチルチオフェン-3-イル)-3,3,4,4,5,5-ヘキサフルオロ-1-シクロペンテン-1-イル]-3,5-ジメチルチオフェン-2-イル]フェニル]アダマンタン-1-イル]フェニル]-9-(1-ヘキシルヘプチル)アントラ[2,1,9-def:6,5,10-d′e′f′]ジイソキノリン-1,3,8,10(2H,9H)-テトラオン
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Other name (5)：
  • N-[4-[5-[4-[3,5-Dimethyl-4-[2-(2-methoxy-4-methyl-5-phenyl-3-thienyl)-3,3,4,4,5,5-hexafluoro-1-cyclopentenyl]-2-thienyl]phenyl]adamantane-1-yl]phenyl]-N′-(1-hexylheptyl)-3,4:9,10-perylenebisdicarbimide
  • N-[4-[3-[4-[3-[1-(2-Methoxy-4-methyl-5-phenyl-3-thienyl)-3,3,4,4,5,5-hexafluorocyclopentene-2-yl]-2,4-dimethyl-5-thienyl]phenyl]-1-adamantyl]phenyl]-N′-(1-hexylheptyl)perylene-3,4:9,10-bis(dicarbimide)
  • N-[4-[3-[4-[4-[2-(2-Methoxy-4-methyl-5-phenyl-3-thienyl)-3,3,4,4,5,5-hexafluorocyclopentene-1-yl]-3,5-dimethyl-2-thienyl]phenyl]-1-adamantyl]phenyl]-N′-(1-hexylheptyl)perylene-3,4:9,10-bis(dicarbimide)
  • N-[4-[3-[4-[3-[2-(2-Methoxy-4-methyl-5-phenyl-3-thienyl)-3,3,4,4,5,5-hexafluorocyclopentene-1-yl]-2,4-dimethylthiophene-5-yl]phenyl]-1-adamantyl]phenyl]-N′-(1-hexylheptyl)perylene-3,4:9,10-bis(dicarbimide)
  • 2-[4-[3-[4-[4-[2-(5-Phenyl-2-methoxy-4-methylthiophene-3-yl)-3,3,4,4,5,5-hexafluoro-1-cyclopentene-1-yl]-3,5-dimethylthiophene-2-yl]phenyl]adamantane-1-yl]phenyl]-9-(1-hexylheptyl)anthra[2,1,9-def:6,5,10-d′e′f′]diisoquinoline-1,3,8,10(2H,9H)-tetraone
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