Chem
J-GLOBAL ID：200907005723710776   Nikkaji number：J2.422.564J

1,1′,10,10′-[2-(3-Ammoniopropyl)-5-phenylpyrrolidine-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-アンモニオプロピル)-5-フェニルピロリジン-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： C71H17N[N+]
Molecular formula furigana： C71-H17-N2
Molecular weight： 897.930
InChI： InChI=1S/C71H16N2/c72-8-4-7-10-70-65-57-49-39-29-21-13-11-12-15-19-17(13)25-33-27(19)37-31-23(15)24-16(12)20-18-14(11)22(21)30-36-26(18)34-28(20)38-32(24)42-41(31)51-45(37)55-47(33)53(43(49)35(25)29)59(65)61(55)67-63(51)64-52(42)46(38)56-48(34)54-44(36)50(40(30)39)58(57)66(70)60(54)62(56)68(64)71(67,70)69(73-10)9-5-2-1-3-6-9/h1-3,5-6,10,69,73H,4,7-8,72H2/p+1
InChI key： QJMZIESWYAOJCS-UHFFFAOYSA-O
SMILES： [NH3+]CCCC1NC(c2ccccc2)C23c4c5c6c7c8c9c(c%10c%11c2c2c4c4c%12c5c5c6c6c8c8c%13c9c9c%10c%10c%11c%11c2c2c4c4c%12c%12c5c5c6c8c6c8c%13c9c9c%10c%10c%11c2c2c4c4c%12c5c6c5c8c9c%10c2c45)C137
Systematic name  (3)：
  • 1,1′,10,10′-[2-(3-アンモニオプロピル)-5-フェニルピロリジン-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
  • 3-{31-フェニル-32-アザドトリアコンタシクロ[26.2.31.110,43.111,15.01,34.02,17.03,14.04,35.05,13.06,37.07,39.08,12.09,41.016,48.018,30.019,49.020,51.021,29.022,27.023,52.024,54.025,57.026,59.034,61.036,60.038,58.040,56.042,55.044,53.045,50.046,62.047,63]トリヘキサコンタ-2(17),3,5,7,9(41),10(62),11,13,15,18(30),19,21,23(52),24,26,28,35,37,39,42(55),43,45,47(63),48,50,53,56,58,60-ノナコサエン-33-イル}プロパン-1-アミニウム
  • 3-{31-phenyl-32-azadotriacontacyclo[26.2.31.110,43.111,15.01,34.02,17.03,14.04,35.05,13.06,37.07,39.08,12.09,41.016,48.018,30.019,49.020,51.021,29.022,27.023,52.024,54.025,57.026,59.034,61.036,60.038,58.040,56.042,55.044,53.045,50.046,62.047,63]trihexaconta-2(17),3,5,7,9(41),10(62),11,13,15,18(30),19,21,23(52),24,26,28,35,37,39,42(55),43,45,47(63),48,50,53,56,58,60-nonacosaen-33-yl}propan-1-aminium
Other name (1)：
  • 1,1′,10,10′-[2-(3-Ammoniopropyl)-5-phenylpyrrolidine-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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