Chem
J-GLOBAL ID：200907007415799939   Nikkaji number：J1.908.195H

1,6,11,16,21,26-Hexakis(pentafluorophenyl)-2,5:17,20-diepimino-10,7:15,12:22,25:27,30-tetraepinitrilocyclotriacontane-1,3,5,8,10,13,15,17,19,21,23,26,28-tridecaene

1,6,11,16,21,26-ヘキサキス(ペンタフルオロフェニル)-2,5:17,20-ジエピミノ-10,7:15,12:22,25:27,30-テトラエピニトリロシクロトリアコンタン-1,3,5,8,10,13,15,17,19,21,23,26,28-トリデカエン
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： C66H14F30N6
Molecular formula furigana： C66-H14-F30-N6
Molecular weight： 1460.832
InChI： InChI=1S/C66H14F30N6/c67-37-31(38(68)50(80)61(91)49(37)79)25-13-1-2-14(97-13)26(32-39(69)51(81)62(92)52(82)40(32)70)16-5-6-18(99-16)28(34-43(73)55(85)64(94)56(86)44(34)74)20-9-10-22(101-20)30(36-47(77)59(89)66(96)60(90)48(36)78)24-12-11-23(102-24)29(35-45(75)57(87)65(95)58(88)46(35)76)21-8-7-19(100-21)27(17-4-3-15(25)98-17)33-41(71)53(83)63(93)54(84)42(33)72/h1-12,97,102H/b25-13-,25-15+,26-14-,26-16+,27-17+,27-19+,28-18+,28-20+,29-21+,29-23+,30-22+,30-24+
InChI key： WKYRGUSBKMULGL-BRKXVFGRSA-N
SMILES： Fc1c(F)c(F)c(c(F)c1F)/C/1=C/2\C=CC(=N2)/C(=c\2/cc/c(=C(/C3=N/C(=C(\C4=N/C(=C(\c5ccc(/C(=C\6/C=CC1=N6)/c1c(F)c(F)c(F)c(F)c1F)[nH]5)/c1c(F)c(F)c(F)c(F)c1F)/C=C4)/c1c(F)c(F)c(F)c(F)c1F)/C=C3)\c1c(F)c(F)c(F)c(F)c1F)/[nH]2)/c1c(F)c(F)c(F)c(F)c1F
Systematic name  (8)：
  • 2,7,12,17,22,27-ヘキサキス(ペンタフルオロフェニル)-31,32,33,34,35,36-ヘキサアザヘプタシクロ[26.2.1.13,6.18,11.113,16.118,21.123,26]ヘキサトリアコンタ-1(31),2,4,6,8(35),9,11,13(34),14,16,18,20,22,24,26(32),27,29-ヘプタデカエン
  • 2,7,12,17,22,27-ヘキサキス(ペンタフルオロフェニル)-31,32,33,34,35,36-ヘキサアザヘプタシクロ[26.2.1.13,6.18,11.113,16.118,21.123,26]ヘキサトリアコンタン-1,3(36),4,6,8,10,12,14,16(34),17,19,21(33),22,24,26,28(31),29-ヘプタデカエン
  • 2,7,12,17,22,27-ヘキサキス(ペンタフルオロフェニル)-31,32,33,34,35,36-ヘキサアザヘプタシクロ[26.2.1.13,6.18,11.113,16.118,21.123,26]ヘキサトリアコンタ-1,3(36),4,6,8(35),9,11,13,15,17,19,21(33),22,24,26(32),27,29-ヘプタデカエン
  • 5,10,15,20,25,30-ヘキサキス(ペンタフルオロフェニル)-1,4:16,19-ジエピミノ-9,6:14,11:21,24:26,29-テトラエピニトリロシクロトリアコンタン-1(30),2,4,7,9,12,14,16,18,20,22,25,27-トリデカエン
  • 5,10,15,20,25,30-ヘキサキス(ペンタフルオロフェニル)-1,4:16,19-ジエピミノ-9,6:14,11:21,24:26,29-テトラエピニトリロシクロトリアコンタ-1(30),2,4,7,9,12,14,16,18,20,22,25,27-トリデカエン
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Other name (8)：
  • 2,7,12,17,22,27-Hexakis(pentafluorophenyl)-31,32,33,34,35,36-hexaazaheptacyclo[26.2.1.13,6.18,11.113,16.118,21.123,26]hexatriaconta-1(31),2,4,6,8(35),9,11,13(34),14,16,18,20,22,24,26(32),27,29-heptadecene
  • 2,7,12,17,22,27-Hexakis(pentafluorophenyl)-31,32,33,34,35,36-hexaazaheptacyclo[26.2.1.13,6.18,11.113,16.118,21.123,26]hexatriacontane-1,3(36),4,6,8,10,12,14,16(34),17,19,21(33),22,24,26,28(31),29-heptadecene
  • 2,7,12,17,22,27-Hexakis(pentafluorophenyl)-31,32,33,34,35,36-hexaazaheptacyclo[26.2.1.13,6.18,11.113,16.118,21.123,26]hexatriaconta-1,3(36),4,6,8(35),9,11,13,15,17,19,21(33),22,24,26(32),27,29-heptadecene
  • 5,10,15,20,25,30-Hexakis(pentafluorophenyl)-1,4:16,19-diepimino-9,6:14,11:21,24:26,29-tetraepinitrilocyclotriacontane-1(30),2,4,7,9,12,14,16,18,20,22,25,27-tridecaene
  • 5,10,15,20,25,30-Hexakis(pentafluorophenyl)-1,4:16,19-diepimino-9,6:14,11:21,24:26,29-tetraepinitrilocyclotriaconta-1(30),2,4,7,9,12,14,16,18,20,22,25,27-tridecaene
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