Chem
J-GLOBAL ID：200907098276258869   Nikkaji number：J1.846.621J

7-(Chloromethyl)-10-(4-methoxyphenyl)-7,10-dihydro-1,1′,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

7-(クロロメチル)-10-(4-メトキシフェニル)-7,10-ジヒドロ-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
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： C68H9ClO
Molecular formula furigana： C68-H9-CL-O
Molecular weight： 877.270
InChI： InChI=1S/C68H9ClO/c1-70-8-4-2-7(3-5-8)68-62-54-45-38-25-18-12-11-13-9-10-14(12)23(25)29-27-16(10)19-15(9)26-28-22(13)24-17(11)20-21(18)32-39-31(20)40-37(24)44-42(28)46-33(26)35-30(19)36-34(27)47(43(29)45)58(62)60-49(36)48(35)59-57(46)61-53(44)50(40)55-52(39)56(51(54)41(32)38)65(68)63(55)67(61,6-69)64(59)66(60)68/h2-5H,6H2,1H3
InChI key： ILFHXHFRWGPSFX-UHFFFAOYSA-N
SMILES： COc1ccc(cc1)C12c3c4c5c6c7c8c9c%10c(c1c1c%10c%10c%11c9c9c8c8c6c6c%12c5c5c3c3c2c2c1c1c%13c2c2c3c3c5c%12c5c%12c6c8c6c9c8c%11c(c%101)c1c%13c9c2c3c5c2c9c1c8c6c%122)C47CCl
Systematic name  (3)：
  • 7-(クロロメチル)-10-(4-メトキシフェニル)-7,10-ジヒドロ-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
  • 45-(クロロメチル)-51-(4-メトキシフェニル)ヘントリアコンタシクロ[7.6.44.12,6.03,17.04,20.05,22.07,12.08,23.010,39.011,37.014,36.015,34.016,32.018,30.019,28.021,26.024,59.025,56.027,55.029,53.031,51.033,50.035,48.038,47.040,58.041,46.042,57.043,54.044,52.045,49.013,60]ヘキサコンタ-1(16),2(60),3,5,7,9(59),10,12,14,17,19(28),20,22,24,26,29,31,33,35,37,39,41(46),42,44(52),47,49,53,55,57-ノナコサエン
  • 45-(chloromethyl)-51-(4-methoxyphenyl)hentriacontacyclo[7.6.44.12,6.03,17.04,20.05,22.07,12.08,23.010,39.011,37.014,36.015,34.016,32.018,30.019,28.021,26.024,59.025,56.027,55.029,53.031,51.033,50.035,48.038,47.040,58.041,46.042,57.043,54.044,52.045,49.013,60]hexaconta-1(16),2(60),3,5,7,9(59),10,12,14,17,19(28),20,22,24,26,29,31,33,35,37,39,41(46),42,44(52),47,49,53,55,57-nonacosaene
Other name (1)：
  • 7-(Chloromethyl)-10-(4-methoxyphenyl)-7,10-dihydro-1,1′,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
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