Chem
J-GLOBAL ID：201507008090986928   Nikkaji number：J3.445.988F

N-[3,4,5-Tris(5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,12-heptadecafluorododecyloxy)benzyl]-N′-[3,4,5-tris(dodecyloxy)benzyl]perylene-3,4:9,10-bis(dicarbimide)

N-[3,4,5-トリス(5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,12-ヘプタデカフルオロドデシルオキシ)ベンジル]-N′-[3,4,5-トリス(ドデシルオキシ)ベンジル]ペリレン-3,4:9,10-ビス(ジカルボイミド)
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： C110H115F51N2O10
Molecular formula furigana： C110-H115-F51-N2-O10
Molecular weight： 2594.053
InChI： InChI=1S/C110H115F51N2O10/c1-4-7-10-13-16-19-22-25-28-34-51-168-73-57-63(58-74(169-52-35-29-26-23-20-17-14-11-8-5-2)81(73)172-55-36-30-27-24-21-18-15-12-9-6-3)61-162-83(164)69-44-40-65-67-42-46-71-80-72(47-43-68(78(67)80)66-41-45-70(84(162)165)79(69)77(65)66)86(167)163(85(71)166)62-64-59-75(170-53-37-31-48-87(111,112)90(117,118)93(123,124)96(129,130)99(135,136)102(141,142)105(147,148)108(153,154)155)82(173-56-39-33-50-89(115,116)92(121,122)95(127,128)98(133,134)101(139,140)104(145,146)107(151,152)110(159,160)161)76(60-64)171-54-38-32-49-88(113,114)91(119,120)94(125,126)97(131,132)100(137,138)103(143,144)106(149,150)109(156,157)158/h40-47,57-60H,4-39,48-56,61-62H2,1-3H3
InChI key： YJEVHUWOUMEGLB-UHFFFAOYSA-N
SMILES： CCCCCCCCCCCCOc1cc(Cn2c(=O)c3ccc4c5ccc6c7c(ccc(c8ccc(c3c48)c2=O)c57)c(=O)n(Cc2cc(OCCCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)c(OCCCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)c(OCCCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)c2)c6=O)cc(OCCCCCCCCCCCC)c1OCCCCCCCCCCCC
Systematic name  (3)：
  • N-[3,4,5-トリス(5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,12-ヘプタデカフルオロドデシルオキシ)ベンジル]-N′-[3,4,5-トリス(ドデシルオキシ)ベンジル]ペリレン-3,4:9,10-ビス(ジカルボイミド)
  • 7-{[3,4,5-トリス(ドデシルオキシ)フェニル]メチル}-18-({3,4,5-トリス[(5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,12-ヘプタデカフルオロドデシル)オキシ]フェニル}メチル)-7,18-ジアザヘプタシクロ[14.6.2.22,5.03,12.04,9.013,23.020,24]ヘキサコサ-1(22),2(26),3,5(25),9,11,13,15,20,23-デカエン-6,8,17,19-テトラオン
  • 7-{[3,4,5-tris(dodecyloxy)phenyl]methyl}-18-({3,4,5-tris[(5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,12-heptadecafluorododecyl)oxy]phenyl}methyl)-7,18-diazaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(22),2(26),3,5(25),9,11,13,15,20,23-decaene-6,8,17,19-tetrone
Other name (1)：
  • N-[3,4,5-Tris(5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,12-heptadecafluorododecyloxy)benzyl]-N′-[3,4,5-tris(dodecyloxy)benzyl]perylene-3,4:9,10-bis(dicarbimide)
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