Chem
J-GLOBAL ID：200907076075820069   Nikkaji number：J2.397.332D

1,1′,10,10′-[2-[3-[3-[3-[3-(5-Ethyl-2-thienylethynyl)-5-ethyl-2-thienylethynyl]-5-ethyl-2-thienylethynyl]-5-ethyl-2-thienylethynyl]-5-ethyl-2-thienyl]-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-[3-[3-[3-(5-エチル-2-チエニルエチニル)-5-エチル-2-チエニルエチニル]-5-エチル-2-チエニルエチニル]-5-エチル-2-チエニルエチニル]-5-エチル-2-チエニル]-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： C101H37NS5
Molecular formula furigana： C101-H37-N-S5
Molecular weight： 1424.710
InChI： InChI=1S/C101H37NS5/c1-7-31-17-18-36(103-31)16-12-27-22-32(8-2)104-37(27)19-13-28-23-33(9-3)105-38(28)20-14-29-24-34(10-4)106-39(29)21-15-30-25-35(11-5)107-98(30)99-101-96-90-84-74-62-54-46-42-40-41-44-48(46)56(62)66-60-52(44)53-45(41)49-47-43(40)51-50(42)58-64(54)72-78-68(58)69-59(51)65-55(47)63-57(49)67-61(53)71-70(60)82(76(66)84)92(96)93-83(71)77(67)85-75(63)81-73(65)79(69)87-86(78)94(88(90)80(72)74)100(101,26-102(99)6)95(87)89(81)91(85)97(93)101/h17-18,22-25,99H,7-11,26H2,1-6H3
InChI key： BDWCLWBQXDNUHY-UHFFFAOYSA-N
SMILES： CCc1ccc(s1)C#Cc1cc(CC)sc1C#Cc1cc(CC)sc1C#Cc1cc(CC)sc1C#Cc1cc(CC)sc1C1N(C)CC23c4c5c6c2c2c7c8c9c%10c(c%11c4c4c%12c%11c%11c%10c%10c%13c9c9c7c7c2c2c6c6c%14c5c4c4c%14c5c%14c6c2c2c7c6c9c%13c7c9c%10c%11c%10c%12c4c4c%10c9c9c7c6c2c%14c9c54)C138
Systematic name  (3)：
  • 1,1′,10,10′-[2-[3-[3-[3-[3-(5-エチル-2-チエニルエチニル)-5-エチル-2-チエニルエチニル]-5-エチル-2-チエニルエチニル]-5-エチル-2-チエニルエチニル]-5-エチル-2-チエニル]-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
  • 20-{5-エチル-3-[2-(5-エチル-3-{2-[5-エチル-3-(2-{5-エチル-3-[2-(5-エチルチオフェン-2-イル)エチニル]チオフェン-2-イル}エチニル)チオフェン-2-イル]エチニル}チオフェン-2-イル)エチニル]チオフェン-2-イル}-21-メチル-21-アザドトリアコンタシクロ[8.7.46.02,6.03,27.04,34.05,61.07,63.08,17.09,14.011,57.012,55.013,49.015,48.016,19.018,26.019,23.023,47.024,45.025,29.028,33.030,44.031,42.032,36.035,60.037,41.038,59.039,56.040,53.043,52.046,51.050,54.058,62]トリヘキサコンタ-1(17),2(6),3(27),4(34),5(61),7,9(14),10,12(55),13(49),15,18(26),24,28,30(44),31(42),32,35,37,39(56),40,43(52),45,47,50,53,57,59,62-ノナコサエン
  • 20-{5-ethyl-3-[2-(5-ethyl-3-{2-[5-ethyl-3-(2-{5-ethyl-3-[2-(5-ethylthiophen-2-yl)ethynyl]thiophen-2-yl}ethynyl)thiophen-2-yl]ethynyl}thiophen-2-yl)ethynyl]thiophen-2-yl}-21-methyl-21-azadotriacontacyclo[8.7.46.02,6.03,27.04,34.05,61.07,63.08,17.09,14.011,57.012,55.013,49.015,48.016,19.018,26.019,23.023,47.024,45.025,29.028,33.030,44.031,42.032,36.035,60.037,41.038,59.039,56.040,53.043,52.046,51.050,54.058,62]trihexaconta-1(17),2(6),3(27),4(34),5(61),7,9(14),10,12(55),13(49),15,18(26),24,28,30(44),31(42),32,35,37,39(56),40,43(52),45,47,50,53,57,59,62-nonacosaene
Other name (1)：
  • 1,1′,10,10′-[2-[3-[3-[3-[3-(5-Ethyl-2-thienylethynyl)-5-ethyl-2-thienylethynyl]-5-ethyl-2-thienylethynyl]-5-ethyl-2-thienylethynyl]-5-ethyl-2-thienyl]-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
Thsaurus map：
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