Chem
J-GLOBAL ID：200907043770157170   Nikkaji number：J2.554.970H

1,1′,10,10′-[2-[4-[15-[9-(Dicyanomethylene)-2,5,7-trinitro-9H-fluorene-4-yl]-1,15-dioxo-2,5,8,11,14-pentaoxapentadecane-1-yl]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-[15-[9-(ジシアノメチレン)-2,5,7-トリニトロ-9H-フルオレン-4-イル]-1,15-ジオキソ-2,5,8,11,14-ペンタオキサペンタデカン-1-イル]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： C95H30N3[N+]3O10[O-]3
Molecular formula furigana： C95-H30-N6-O13
Molecular weight： 1463.314
InChI： InChI=1S/C95H30N6O13/c1-98-20-94-87-79-71-61-51-43-35-33-34-37-41-39(35)47-55-49(41)59-53-45(37)46-38(34)42-40-36(33)44(43)52-58-48(40)56-50(42)60-54(46)64-63(53)75-69(59)77-67(55)73(65(71)57(47)51)81(87)83(77)89-85(75)86-76(64)70(60)78-68(56)74-66(58)72(62(52)61)80(79)88(94)82(74)84(78)90(86)95(89,94)91(98)21-2-4-22(5-3-21)92(102)113-12-10-111-8-6-110-7-9-112-11-13-114-93(103)28-16-24(99(104)105)14-26-30(23(18-96)19-97)27-15-25(100(106)107)17-29(101(108)109)32(27)31(26)28/h2-5,14-17,91H,6-13,20H2,1H3
InChI key： WUQNGRYRCWOGHK-UHFFFAOYSA-N
SMILES： CN1CC23c4c5c6c2c2c7c8c9c%10c(c%11c4c4c%12c5c5c%13c6c6c2c2c7c7c9c9c%14c%10c%10c%11c4c4c%11c%12c5c5c%12c%13c6c6c2c2c7c9c7c9c%14c%10c4c4c%11c5c5c%12c6c2c7c5c94)C38C1c1ccc(cc1)C(=O)OCCOCCOCCOCCOC(=O)c1cc(cc2C(=C(C#N)C#N)c3cc(cc(c3c12)[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-]
Systematic name  (3)：
  • 1,1′,10,10′-[2-[4-[15-[9-(ジシアノメチレン)-2,5,7-トリニトロ-9H-フルオレン-4-イル]-1,15-ジオキソ-2,5,8,11,14-ペンタオキサペンタデカン-1-イル]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-[2-(2-{2-[9-(ジシアノメチリデン)-2,5,7-トリニトロ-9H-フルオレン-4-カルボニルオキシ]エトキシ}エトキシ)エトキシ]エチル 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}ベンゾアート
  • 2-[2-(2-{2-[9-(dicyanomethylidene)-2,5,7-trinitro-9H-fluorene-4-carbonyloxy]ethoxy}ethoxy)ethoxy]ethyl 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}benzoate
Other name (1)：
  • 1,1′,10,10′-[2-[4-[15-[9-(Dicyanomethylene)-2,5,7-trinitro-9H-fluorene-4-yl]-1,15-dioxo-2,5,8,11,14-pentaoxapentadecane-1-yl]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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