物質
J-GLOBAL ID：200907072574640254   日化辞番号：J2.055.622F

3,6:13,16:23,26:33,36-テトラエピミノ-11,8:18,21:31,28:38,1-テトラエピニトリロ-2,7,12,17,22,27,32,37-オクタキス(ペンタフルオロフェニル)シクロテトラコンタ-2,4,6,9,11,13,15,17,19,22,24,26,29,31,33,35,37,39-オクタデカエン

3,6:13,16:23,26:33,36-Tetraepimino-11,8:18,21:31,28:38,1-tetraepinitrilo-2,7,12,17,22,27,32,37-octakis(pentafluorophenyl)cyclotetraconta-2,4,6,9,11,13,15,17,19,22,24,26,29,31,33,35,37,39-octadecene
物質タイプ：
物質タイプ
物質タイプは以下の３種類に大別されています。
構造情報あり：構造が明確な物質
構造不確定等：構造が不明または未定の物質
混合物等：混合物、ラセミ化合物や、相対立体配置をもつ化合物等
構造情報あり
分子式： C88H20F40N8
分子式フリガナ： C88-H20-F40-N8
分子量： 1949.120
InChI： InChI=1S/C88H20F40N8/c89-49-41(50(90)66(106)81(121)65(49)105)33-17-1-2-18(129-17)34(42-51(91)67(107)82(122)68(108)52(42)92)20-5-6-22(131-20)36(44-55(95)71(111)84(124)72(112)56(44)96)24-9-10-26(133-24)38(46-59(99)75(115)86(126)76(116)60(46)100)28-13-14-30(135-28)40(48-63(103)79(119)88(128)80(120)64(48)104)32-16-15-31(136-32)39(47-61(101)77(117)87(127)78(118)62(47)102)29-12-11-27(134-29)37(45-57(97)73(113)85(125)74(114)58(45)98)25-8-7-23(132-25)35(21-4-3-19(33)130-21)43-53(93)69(109)83(123)70(110)54(43)94/h1-16,129,132-133,136H/b33-17-,33-19+,34-18-,34-20+,35-21+,35-23+,36-22+,36-24+,37-25+,37-27+,38-26+,38-28+,39-29+,39-31+,40-30+,40-32+
InChI key： NYKBJQAOZKUDQB-YSHQWZLKSA-N
SMILES： Fc1c(F)c(F)c(c(F)c1F)/C/1=c/2\cc/c(=C(/C3=N/C(=C(\c4ccc(/C(=C\5/C=CC(=N5)/C(=c\5/cc/c(=C(/C6=N/C(=C(\c7ccc(/C(=C\8/C=CC1=N8)/c1c(F)c(F)c(F)c(F)c1F)[nH]7)/c1c(F)c(F)c(F)c(F)c1F)/C=C6)\c1c(F)c(F)c(F)c(F)c1F)/[nH]5)/c1c(F)c(F)c(F)c(F)c1F)/c1c(F)c(F)c(F)c(F)c1F)[nH]4)/c1c(F)c(F)c(F)c(F)c1F)/C=C3)\c1c(F)c(F)c(F)c(F)c1F)/[nH]2
体系名 (5件)：
  • 3,6:13,16:23,26:33,36-テトラエピミノ-11,8:18,21:31,28:38,1-テトラエピニトリロ-2,7,12,17,22,27,32,37-オクタキス(ペンタフルオロフェニル)シクロテトラコンタ-2,4,6,9,11,13,15,17,19,22,24,26,29,31,33,35,37,39-オクタデカエン
  • 5,10,15,20,25,30,35,40-オクタキス(ペンタフルオロフェニル)-1,4:11,14:21,24:31,34-テトラエピミノ-9,6:16,19:29,26:36,39-テトラエピニトリロシクロテトラコンタ-1(40),2,4,7,9,11,13,15,17,20,22,24,27,29,31,33,35,37-オクタデカエン
  • 5,10,15,20,25,30,35,40-オクタ(ペンタフルオロフェニル)-1,4:11,14:21,24:31,34-テトラエピミノ-9,6:16,19:29,26:36,39-テトラエピニトリロシクロテトラコンタ-1(40),2,4,7,9,11,13,15,17,20,22,24,27,29,31,33,35,37-オクタデカエン
  • 2,7,12,17,22,27,32,37-オクタキス(ペンタフルオロフェニル)-41,42,43,44,45,46,47,48-オクタアザノナシクロ[36.2.1.13,6.18,11.113,16.118,21.123,26.128,31.133,36]オクタテトラコンタン-1(41),2,4,6,8(47),9,11,13,15,17,19,21(45),22,24,26,28(43),29,31,33,35,37,39-ドコサエン
  • 5,10,15,20,25,30,35,40-オクタ(ペンタフルオロフェニル)-1,4:14,11:21,24:34,31-テトラエピニトリロ-6,9:16,19:26,29:36,39-テトラエピミノシクロテトラコンタン-1(40),2,5,7,9,12,14,16,18,20,22,25,27,29,32,34,36,38-オクタデカエン
その他の名称 (5件)：
  • 3,6:13,16:23,26:33,36-Tetraepimino-11,8:18,21:31,28:38,1-tetraepinitrilo-2,7,12,17,22,27,32,37-octakis(pentafluorophenyl)cyclotetraconta-2,4,6,9,11,13,15,17,19,22,24,26,29,31,33,35,37,39-octadecene
  • 5,10,15,20,25,30,35,40-Octakis(pentafluorophenyl)-1,4:11,14:21,24:31,34-tetraepimino-9,6:16,19:29,26:36,39-tetraepinitrilocyclotetraconta-1(40),2,4,7,9,11,13,15,17,20,22,24,27,29,31,33,35,37-octadecaene
  • 5,10,15,20,25,30,35,40-Octa(pentafluorophenyl)-1,4:11,14:21,24:31,34-tetraepimino-9,6:16,19:29,26:36,39-tetraepinitrilocyclotetraconta-1(40),2,4,7,9,11,13,15,17,20,22,24,27,29,31,33,35,37-octadecaene
  • 2,7,12,17,22,27,32,37-Octakis(pentafluorophenyl)-41,42,43,44,45,46,47,48-octaazanonacyclo[36.2.1.13,6.18,11.113,16.118,21.123,26.128,31.133,36]octatetracontane-1(41),2,4,6,8(47),9,11,13,15,17,19,21(45),22,24,26,28(43),29,31,33,35,37,39-docosaene
  • 5,10,15,20,25,30,35,40-Octa(pentafluorophenyl)-1,4:14,11:21,24:34,31-tetraepinitrilo-6,9:16,19:26,29:36,39-tetraepiminocyclotetracontane-1(40),2,5,7,9,12,14,16,18,20,22,25,27,29,32,34,36,38-octadecaene
シソーラスmap：
シソーラスmap

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