Chem
J-GLOBAL ID:200907021801347379   Nikkaji number:J2.422.563A

1,1′,10,10′-[2-[4-(2-Ammonioethoxy)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-[4-(2-アンモニオエトキシ)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: C71H17N[N+]O
Molecular formula furigana: C71-H17-N2-O
Molecular weight: 913.929
InChI: InChI=1S/C71H16N2O/c1-73-8-70-65-57-49-39-29-21-13-11-12-15-19-17(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)53-47(37)55-45(33)51(43(49)35(25)29)59(65)61(55)67-63(53)64-54(42)48(38)56-46(34)52-44(36)50(40(30)39)58(57)66(70)60(52)62(56)68(64)71(67,70)69(73)9-2-4-10(5-3-9)74-7-6-72/h2-5,69H,6-8,72H2,1H3/p+1
InChI key: RZQLBRPNVKHIMT-UHFFFAOYSA-O
SMILES: CN1CC23c4c5c6c2c2c7c8c9c%10c(c%11c4c4c%12c5c5c%13c6c6c2c2c7c7c9c9c%14c%10c%10c%11c4c4c%11c%12c5c5c%12c%13c6c6c2c2c7c9c7c9c%14c%10c4c4c%11c5c5c%12c6c2c7c5c94)C38C1c1ccc(OCC[NH3+])cc1
Systematic name  (3):
  • 1,1′,10,10′-[2-[4-(2-アンモニオエトキシ)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
  • 2-(4-{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-イル}フェノキシ)エタン-1-アミニウム
  • 2-(4-{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-nonacosaen-37-yl}phenoxy)ethan-1-aminium
Other name (1):
  • 1,1′,10,10′-[2-[4-(2-Ammonioethoxy)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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