Chem
J-GLOBAL ID：200907049203169999   Nikkaji number：J1.281.588C

1,6,12,15,18-Pentakis(p-fluorophenyl)-1,6,9,12,15,18-hexahydro[C60]fullerene-9-ol

1,6,12,15,18-ペンタキス(4-フルオロフェニル)-1,6,9,12,15,18-ヘキサヒドロ[C60]フラーレン-9-オール
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： C90H21F5O
Molecular formula furigana： C90-H21-F5-O
Molecular weight： 1213.149
InChI： InChI=1S/C90H21F5O/c91-26-11-1-21(2-12-26)85-71-61-51-41-36-31-32-34-35-33(31)38-44-42(36)52(51)62-64-54(44)56-46(38)48-40(35)50-49-39(34)47-45-37(32)43(41)53-55(45)65-67-57(47)59(49)69-70-60(50)58(48)68-66(56)76-74(64)86(72(62)71,22-3-13-27(92)14-4-22)82-81(85)83-87(75(65)73(85)63(53)61,23-5-15-28(93)16-6-23)77(67)79(69)90(96)80(70)78(68)88(76,24-7-17-29(94)18-8-24)84(82)89(83,90)25-9-19-30(95)20-10-25/h1-20,96H
InChI key： FTHBDWLFPMXTKW-UHFFFAOYSA-N
SMILES： OC12c3c4c5c6c7c8c9c%10c%11c%12c%13c%14c%15c%16c%17c%18c(c1c1c3c3c5c5c%19c6c9c6c9c%10c%13c%10c%13c%14c%17c%14c%17c%18c1c1c3c5c3c(c%171)c(c%13%14)c(c9%10)c3c%196)C%16(C1=C(C(=C(C47c3ccc(F)cc3)C21c1ccc(F)cc1)C8%11c1ccc(F)cc1)C%12%15c1ccc(F)cc1)c1ccc(F)cc1
Systematic name  (3)：
  • 1,6,7,10,10c-ペンタキス(4-フルオロフェニル)-1,3a,6,7,10,10c-ヘキサヒドロ1,1′,10,10′-(1,1,2,2-エテンテトライル)-1′′,6′,7′,10′′-(1,1,2,2-エテンテトライル)-6,6′′,7,7′′-(1,1,2,2-エテンテトライル)-4,3,3′,4′,3′′,4′′-(1,2,3,4,5,6-ベンゼンヘキサイル)-5,5′′:8,8′′:8′,9′′:9,9′-テトラキスシクロ-2,2′:5′,2′′-テルフルオランテン-3a-オール
  • ペンタキス(4-フルオロフェニル)ヘントリアコンタシクロ[16.12.28.12,9.119,22.03,8.04,32.05,34.06,40.07,42.010,43.011,45.012,16.014,30.015,20.017,46.021,29.023,27.024,55.025,36.026,33.028,31.035,39.037,54.038,51.041,50.044,49.047,58.048,52.053,57.013,60.056,59]ヘキサコンタ-1,3,5(34),6,8,10,12(16),13(60),14(30),15(20),17,19(59),21(29),22,24,26(33),27,31,35,37(54),39,42,45,48(52),50,55,57-ヘプタコサエン-44-オール
  • pentakis(4-fluorophenyl)hentriacontacyclo[16.12.28.12,9.119,22.03,8.04,32.05,34.06,40.07,42.010,43.011,45.012,16.014,30.015,20.017,46.021,29.023,27.024,55.025,36.026,33.028,31.035,39.037,54.038,51.041,50.044,49.047,58.048,52.053,57.013,60.056,59]hexaconta-1,3,5(34),6,8,10,12(16),13(60),14(30),15(20),17,19(59),21(29),22,24,26(33),27,31,35,37(54),39,42,45,48(52),50,55,57-heptacosaen-44-ol
Other name (3)：
  • 1,6,7,10,10c-Pentakis(4-fluorophenyl)-1,3a,6,7,10,10c-hexahydro1,1′,10,10′-(1,1,2,2-ethenetetryl)-1′′,6′,7′,10′′-(1,1,2,2-ethenetetryl)-6,6′′,7,7′′-(1,1,2,2-ethenetetryl)-4,3,3′,4′,3′′,4′′-(1,2,3,4,5,6-benzenehexyl)-5,5′′:8,8′′:8′,9′′:9,9′-tetrakiscyclo-2,2′:5′,2′′-terfluoranthene-3a-ol
  • 1,6,12,15,18-ペンタキス(4-フルオロフェニル)-1,6,9,12,15,18-ヘキサヒドロ[C60]フラーレン-9-オール
  • 1,6,12,15,18-Pentakis(p-fluorophenyl)-1,6,9,12,15,18-hexahydro[C60]fullerene-9-ol
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