Chem
J-GLOBAL ID:200907000174903310   Nikkaji number:J1.867.613C

2,7,12,17,22,27,32,37-Octakis(pentafluorophenyl)-4,5,9,10,14,15,19,20,24,25,29,30,34,35,39,40-hexadecafluoro-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(40),2,4,6,8,10,12,14,16(46),17,19,21,23,25,27,29,31,33(42),34,36,38-henicosene

2,7,12,17,22,27,32,37-オクタキス(ペンタフルオロフェニル)-4,5,9,10,14,15,19,20,24,25,29,30,34,35,39,40-ヘキサデカフルオロ-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(40),2,4,6,8,10,12,14,16(46),17,19,21,23,25,27,29,31,33(42),34,36,38-ヘニコサエン
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: C88H6F56N8
Molecular formula furigana: C88-H6-F56-N8
Molecular weight: 2238.983
InChI: InChI=1S/C88H6F56N8/c89-17-1(18(90)34(106)49(121)33(17)105)9-73-57(129)59(131)75(145-73)10(2-19(91)35(107)50(122)36(108)20(2)92)77-61(133)63(135)79(147-77)12(4-23(95)39(111)52(124)40(112)24(4)96)81-65(137)67(139)83(149-81)14(6-27(99)43(115)54(126)44(116)28(6)100)85-69(141)71(143)87(151-85)16(8-31(103)47(119)56(128)48(120)32(8)104)88-72(144)70(142)86(152-88)15(7-29(101)45(117)55(127)46(118)30(7)102)84-68(140)66(138)82(150-84)13(5-25(97)41(113)53(125)42(114)26(5)98)80-64(136)62(134)78(148-80)11(76-60(132)58(130)74(9)146-76)3-21(93)37(109)51(123)38(110)22(3)94/h145-147,150-152H/b73-9-,74-9-,75-10-,76-11-,77-10-,78-11-,79-12-,80-13-,81-12-,82-13-,83-14-,84-15-,85-14+,86-15-,87-16+,88-16-
InChI key: NQWJAMWXFQOPIY-TTYAJQQKSA-N
SMILES: FC1=C(F)C2=N/C/1=C(/c1c(F)c(F)c(F)c(F)c1F)\c1[nH]c(c(F)c1F)/C(=c/1\[nH]/c(=C(/c3c(F)c(F)c(F)c(F)c3F)\c3[nH]c(c(F)c3F)/C(=C/3\N=C(C(=C3F)F)/C(=c/3\[nH]/c(=C(/c4c(F)c(F)c(F)c(F)c4F)\c4[nH]c(c(F)c4F)/C(=c/4\[nH]/c(=C\2/c2c(F)c(F)c(F)c(F)c2F)/c(F)c4F)/c2c(F)c(F)c(F)c(F)c2F)/c(F)c3F)/c2c(F)c(F)c(F)c(F)c2F)/c2c(F)c(F)c(F)c(F)c2F)/c(F)c1F)/c1c(F)c(F)c(F)c(F)c1F
Systematic name  (3):
  • 2,7,12,17,22,27,32,37-オクタキス(ペンタフルオロフェニル)-4,5,9,10,14,15,19,20,24,25,29,30,34,35,39,40-ヘキサデカフルオロ-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(40),2,4,6,8,10,12,14,16(46),17,19,21,23,25,27,29,31,33(42),34,36,38-ヘニコサエン
  • 4,5,9,10,14,15,19,20,24,25,29,30,34,35,39,40-ヘキサデカフルオロ-2,7,12,17,22,27,32,37-オクタキス(2,3,4,5,6-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-1,3,5,7,9,11,13,15,17,19,21(45),22,24,26,28,30,32,34,36,38(41),39-ヘンイコサエン
  • 4,5,9,10,14,15,19,20,24,25,29,30,34,35,39,40-hexadecafluoro-2,7,12,17,22,27,32,37-octakis(2,3,4,5,6-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]octatetraconta-1,3,5,7,9,11,13,15,17,19,21(45),22,24,26,28,30,32,34,36,38(41),39-henicosaene
Other name (1):
  • 2,7,12,17,22,27,32,37-Octakis(pentafluorophenyl)-4,5,9,10,14,15,19,20,24,25,29,30,34,35,39,40-hexadecafluoro-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(40),2,4,6,8,10,12,14,16(46),17,19,21,23,25,27,29,31,33(42),34,36,38-henicosene
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