Chem
J-GLOBAL ID：201107015390424103   Nikkaji number：J2.924.677G

5,10,15,20,25,30-Hexakis(pentafluorophenyl)-1,4:16,19-diepimino-6,9:11,14-diepinitrilo-21,21,24-nitrilo-26,26,29-(methanetriyl)-27-azacyclotriaconta-1,3,5,7,10,12,15,17,19,22,24,29-dodecaene-28-one

2,6,11,16,21,26-ヘキサキス(ペンタフルオロフェニル)-7,10:22,25-ジエピミノ-1,27:12,15:17,20-トリエピニトリロ-3,5-(イミノカルボニル)シクロノナコサ-1,3,5,7,9,11,13,16,18,21,23,25,28-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： C66H14F30N6O
Molecular formula furigana： C66-H14-F30-N6-O
Molecular weight： 1476.831
InChI： InChI=1S/C66H14F30N6O/c67-36-30(37(68)49(80)60(91)48(36)79)24-12-11-23(102-66(12)103)29(35-46(77)58(89)65(96)59(90)47(35)78)22-10-9-21(101-22)28(34-44(75)56(87)64(95)57(88)45(34)76)20-8-7-19(100-20)27(33-42(73)54(85)63(94)55(86)43(33)74)18-6-5-17(99-18)26(32-40(71)52(83)62(93)53(84)41(32)72)16-4-3-15(98-16)25(14-2-1-13(24)97-14)31-38(69)50(81)61(92)51(82)39(31)70/h1-11,97,100H,(H,102,103)/b24-12-,24-13+,25-14+,25-15+,26-16+,26-17+,27-18+,27-19-,28-20-,28-21+,29-22+,29-23-
InChI key： LLPZHCRABNSTLP-CVXIIDLFSA-N
SMILES： Fc1c(F)c(F)c(c(F)c1F)/C/1=C/2\C=CC(=N2)/C(=c\2/cc/c(=C(/C3=C/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)/NC3=O)\c1c(F)c(F)c(F)c(F)c1F)/[nH]2)/c1c(F)c(F)c(F)c(F)c1F
Systematic name  (5)：
  • 2,7,12,17,22,27-ヘキサキス(ペンタフルオロフェニル)-5,31,32,33,34,35-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(30),2,6(36),7,9,11(35),12,14,16,18(33),19,21,23(32),24,26,28-ヘキサデカエン-4-オン
  • 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-6,9:11,14-ジエピニトリロ-21,21,24-ニトリロ-26,26,29-(メタントリイル)-27-アザシクロトリアコンタ-1,3,5,7,10,12,15,17,19,22,24,29-ドデカエン-28-オン
  • 2,7,12,17,22,27-ヘキサキス(2,3,4,5,6-ペンタフルオロフェニル)-4,31,32,33,34,35-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),2,6(36),7,9,11,13(34),14,16,18(33),19,21,23,25,27,29-ヘキサデカエン-5-オン
  • 2,7,12,17,22,27-hexakis(2,3,4,5,6-pentafluorophenyl)-4,31,32,33,34,35-hexaazaheptacyclo[26.2.1.13,6.18,11.113,16.118,21.123,26]hexatriaconta-1(31),2,6(36),7,9,11,13(34),14,16,18(33),19,21,23,25,27,29-hexadecaen-5-one
  • 2,6,11,16,21,26-ヘキサキス(ペンタフルオロフェニル)-7,10:22,25-ジエピミノ-1,27:12,15:17,20-トリエピニトリロ-3,5-(イミノカルボニル)シクロノナコサ-1,3,5,7,9,11,13,16,18,21,23,25,28-トリデカエン
Other name (2)：
  • 2,7,12,17,22,27-Hexakis(pentafluorophenyl)-5,31,32,33,34,35-hexaazaheptacyclo[26.2.1.13,6.18,11.113,16.118,21.123,26]hexatriacontane-1(30),2,6(36),7,9,11(35),12,14,16,18(33),19,21,23(32),24,26,28-hexadecaene-4-one
  • 5,10,15,20,25,30-Hexakis(pentafluorophenyl)-1,4:16,19-diepimino-6,9:11,14-diepinitrilo-21,21,24-nitrilo-26,26,29-(methanetriyl)-27-azacyclotriaconta-1,3,5,7,10,12,15,17,19,22,24,29-dodecaene-28-one
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