Chem
J-GLOBAL ID：200907058684080235   Nikkaji number：J2.198.290C

1,1′,10,10′-[2-[3,5-Bis(4,6-undecadiynyloxy)phenyl]-1-methylpyrrolidine-3,3,4,4-tetrayl]-1′′,6′,7′,10′′-(1,1,2,2-ethenetetrayl)-6,6′′,7,7′′-(1,1,2,2-ethenetetrayl)-4,3,3′,4′,3′′,4′′-(1,2,3,4,5,6-benzenehexayl)-5,5′′:8,8′′:8′,9′′:9,9′-tetrakiscyclo-2,2′:5′,2′′-terfluoranthene

1,1′,10,10′-[2-[3,5-ビス(4,6-ウンデカジイニルオキシ)フェニル]-1-メチルピロリジン-3,3,4,4-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
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： C91H39NO2
Molecular formula furigana： C91-H39-N-O2
Molecular weight： 1178.318
InChI： InChI=1S/C91H39NO2/c1-4-6-8-10-12-14-16-18-20-22-93-29-24-28(25-30(26-29)94-23-21-19-17-15-13-11-9-7-5-2)89-91-87-81-75-65-53-45-37-33-31-32-35-39(37)47(53)57-51-43(35)44-36(32)40-38-34(31)42-41(33)49-55(45)63-69-59(49)60-50(42)56-46(38)54-48(40)58-52(44)62-61(51)73(67(57)75)83(87)84-74(62)68(58)76-66(54)72-64(56)70(60)78-77(69)85(79(81)71(63)65)90(91,27-92(89)3)86(78)80(72)82(76)88(84)91/h24-26,89H,4-9,18-23,27H2,1-3H3
InChI key： LUPOKJJGEQJEIL-UHFFFAOYSA-N
SMILES： CCCCC#CC#CCCCOc1cc(OCCCC#CC#CCCCC)cc(c1)C1N(C)CC23c4c5c6c2c2c7c8c9c%10c(c%11c4c4c%12c5c5c%13c6c6c2c2c7c7c9c9c%14c%10c%10c%11c4c4c%11c%12c5c5c%12c%13c6c6c2c2c7c9c7c9c%14c%10c4c4c%11c5c5c%12c6c2c7c5c94)C138
Systematic name  (3)：
  • 1,1′,10,10′-[2-[3,5-ビス(4,6-ウンデカジイニルオキシ)フェニル]-1-メチルピロリジン-3,3,4,4-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
  • 37-[3,5-ビス(ウンデカ-4,6-ジイン-1-イルオキシ)フェニル]-36-メチル-36-アザドトリアコンタシクロ[14.13.31.13,31.18,12.113,21.02,10.04,39.05,9.06,41.07,60.011,29.014,19.017,58.018,52.020,51.022,27.023,50.024,48.025,32.026,30.033,47.034,38.034,45.040,44.042,59.043,56.046,55.049,54.053,57.015,63.028,62.038,61]トリヘキサコンタ-1,3,5,7(60),8(63),9,11,13,15,17,19,21(62),22(27),23(50),24,26(30),28,31(61),32,39,41,43(56),44,46,48,51,53(57),54,58-ノナコサエン
  • 37-[3,5-bis(undeca-4,6-diyn-1-yloxy)phenyl]-36-methyl-36-azadotriacontacyclo[14.13.31.13,31.18,12.113,21.02,10.04,39.05,9.06,41.07,60.011,29.014,19.017,58.018,52.020,51.022,27.023,50.024,48.025,32.026,30.033,47.034,38.034,45.040,44.042,59.043,56.046,55.049,54.053,57.015,63.028,62.038,61]trihexaconta-1,3,5,7(60),8(63),9,11,13,15,17,19,21(62),22(27),23(50),24,26(30),28,31(61),32,39,41,43(56),44,46,48,51,53(57),54,58-nonacosaene
Other name (1)：
  • 1,1′,10,10′-[2-[3,5-Bis(4,6-undecadiynyloxy)phenyl]-1-methylpyrrolidine-3,3,4,4-tetrayl]-1′′,6′,7′,10′′-(1,1,2,2-ethenetetrayl)-6,6′′,7,7′′-(1,1,2,2-ethenetetrayl)-4,3,3′,4′,3′′,4′′-(1,2,3,4,5,6-benzenehexayl)-5,5′′:8,8′′:8′,9′′:9,9′-tetrakiscyclo-2,2′:5′,2′′-terfluoranthene
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