Chem
J-GLOBAL ID：200907055581487621
Nikkaji number：J2.207.786D
2,14,19,31-Tetrakis[4-(hexyloxy)phenyl]-8,25-(1,4-phenylene)-2,8,14,19,25,31-hexaazaheptacyclo[30.2.2.215,18.13,7.19,13.120,24.126,30]dotetracontane-1(34),3(42),4,6,9(41),10,12,15,17,20(38),21,23,26(37),27,29,32,35,39-octadecaene
2,14,19,31-テトラキス[4-(ヘキシルオキシ)フェニル]-8,25-(1,4-フェニレン)-2,8,14,19,25,31-ヘキサアザヘプタシクロ[30.2.2.215,18.13,7.19,13.120,24.126,30]ドテトラコンタン-1(34),3(42),4,6,9(41),10,12,15,17,20(38),21,23,26(37),27,29,32,35,39-オクタデカエン
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
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
Molecular formula： C90H96N6O4
Molecular formula furigana： C90-H96-N6-O4
Molecular weight： 1325.796
InChI：
InChI=1S/C90H96N6O4/c1-5-9-13-17-61-97-87-53-45-75(46-54-87)91-69-33-35-70(36-34-69)92(76-47-55-88(56-48-76)98-62-18-14-10-6-2)80-26-23-31-85(67-80)96-74-43-41-73(42-44-74)95(83-29-21-25-79(91)65-83)84-30-22-27-81(66-84)93(77-49-57-89(58-50-77)99-63-19-15-11-7-3)71-37-39-72(40-38-71)94(82-28-24-32-86(96)68-82)78-51-59-90(60-52-78)100-64-20-16-12-8-4/h21-60,65-68H,5-20,61-64H2,1-4H3
InChI key：
ZCGSUDZARFAKPQ-UHFFFAOYSA-N
SMILES：
CCCCCCOc1ccc(cc1)N1c2ccc(cc2)N(c2ccc(OCCCCCC)cc2)c2cccc(c2)N2c3ccc(cc3)N(c3cccc1c3)c1cccc(c1)N(c1ccc(OCCCCCC)cc1)c1ccc(cc1)N(c1ccc(OCCCCCC)cc1)c1cccc2c1
Systematic name (3)：
- 2,14,19,31-テトラキス[4-(ヘキシルオキシ)フェニル]-8,25-(1,4-フェニレン)-2,8,14,19,25,31-ヘキサアザヘプタシクロ[30.2.2.215,18.13,7.19,13.120,24.126,30]ドテトラコンタン-1(34),3(42),4,6,9(41),10,12,15,17,20(38),21,23,26(37),27,29,32,35,39-オクタデカエン
- 7,12,24,29-テトラキス[4-(ヘキシルオキシ)フェニル]-1,7,12,18,24,29-ヘキサアザノナシクロ[16.16.4.28,11.225,28.235,38.12,6.113,17.119,23.130,34]オクタテトラコンタ-2,4,6(48),8,10,13,15,17(45),19(44),20,22,25,27,30(41),31,33,35,37,39,42,46-ヘンイコサエン
- 7,12,24,29-tetrakis[4-(hexyloxy)phenyl]-1,7,12,18,24,29-hexaazanonacyclo[16.16.4.28,11.225,28.235,38.12,6.113,17.119,23.130,34]octatetraconta-2,4,6(48),8,10,13,15,17(45),19(44),20,22,25,27,30(41),31,33,35,37,39,42,46-henicosaene
- 2,14,19,31-Tetrakis[4-(hexyloxy)phenyl]-8,25-(1,4-phenylene)-2,8,14,19,25,31-hexaazaheptacyclo[30.2.2.215,18.13,7.19,13.120,24.126,30]dotetracontane-1(34),3(42),4,6,9(41),10,12,15,17,20(38),21,23,26(37),27,29,32,35,39-octadecaene
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