Chem
J-GLOBAL ID：200907095343104740   Nikkaji number：J2.473.766G

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

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-メトキシ-4-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)
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： C82H74F6N2O6S2
Molecular formula furigana： C82-H74-F6-N2-O6-S2
Molecular weight： 1361.610
InChI： InChI=1S/C82H74F6N2O6S2/c1-7-9-11-16-20-52(21-17-12-10-8-2)89-72(91)58-34-30-54-56-32-36-60-67-61(37-33-57(65(56)67)55-31-35-59(73(89)92)66(58)64(54)55)75(94)90(74(60)93)53-28-26-51(27-29-53)79-41-46-38-47(42-79)40-78(39-46,43-79)50-24-22-49(23-25-50)71-45(4)63(77(96-6)98-71)69-68(80(83,84)82(87,88)81(69,85)86)62-44(3)70(97-76(62)95-5)48-18-14-13-15-19-48/h13-15,18-19,22-37,46-47,52H,7-12,16-17,20-21,38-43H2,1-6H3/t46-,47+,78+,79-
InChI key： ZZDSFSPLVCLKSM-NFYNGVMZSA-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(OC)c(C3=C(c4c(C)c(sc4OC)c4ccccc4)C(F)(F)C(F)(F)C3(F)F)c1C)C2)c5=O
Systematic name  (3)：
  • 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-メトキシ-4-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)
  • 7-{4-[(1s,3s,5R,7S)-3-(4-{4-[3,3,4,4,5,5-ヘキサフルオロ-2-(2-メトキシ-4-メチル-5-フェニルチオフェン-3-イル)シクロペンタ-1-エン-1-イル]-5-メトキシ-3-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}-18-(トリデカン-7-イル)-7,18-ジアザヘプタシクロ[14.6.2.22,5.03,12.04,9.013,23.020,24]ヘキサコサ-1(22),2(26),3,5(25),9,11,13,15,20,23-デカエン-6,8,17,19-テトラオン
  • 7-{4-[(1s,3s,5R,7S)-3-(4-{4-[3,3,4,4,5,5-hexafluoro-2-(2-methoxy-4-methyl-5-phenylthiophen-3-yl)cyclopent-1-en-1-yl]-5-methoxy-3-methylthiophen-2-yl}phenyl)adamantan-1-yl]phenyl}-18-(tridecan-7-yl)-7,18-diazaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(22),2(26),3,5(25),9,11,13,15,20,23-decaene-6,8,17,19-tetrone
Other name (1)：
  • N-[4-[3-[4-[3-[2-(2-Methoxy-4-methyl-5-phenyl-3-thienyl)-3,3,4,4,5,5-hexafluorocyclopentene-1-yl]-2-methoxy-4-methylthiophene-5-yl]phenyl]-1-adamantyl]phenyl]-N′-(1-hexylheptyl)perylene-3,4:9,10-bis(dicarbimide)
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