Chem
J-GLOBAL ID：200907049293424321
Nikkaji number：J2.207.785F
2,20,25,43-Tetrakis[4-(hexyloxy)phenyl]-8,37-(1,4-phenylene)-14,31-(1,4-phenylene)-2,8,14,20,25,31,37,43-octaazanonacyclo[42.2.2.221,24.13,7.19,13.115,19.126,30.132,36.138,42]hexapentacontane-1(46),3(56),4,6,9(55),10,12,15(54),16,18,21,23,26(51),27,29,32(50),33,35,38(49),39,41,44,47,52-tetracosaene
2,20,25,43-テトラキス[4-(ヘキシルオキシ)フェニル]-8,37-(1,4-フェニレン)-14,31-(1,4-フェニレン)-2,8,14,20,25,31,37,43-オクタアザノナシクロ[42.2.2.221,24.13,7.19,13.115,19.126,30.132,36.138,42]ヘキサペンタコンタン-1(46),3(56),4,6,9(55),10,12,15(54),16,18,21,23,26(51),27,29,32(50),33,35,38(49),39,41,44,47,52-テトラコサエン
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： C108H108N8O4
Molecular formula furigana： C108-H108-N8-O4
Molecular weight： 1582.104
InChI：
InChI=1S/C108H108N8O4/c1-5-9-13-17-71-117-105-63-55-89(56-64-105)109-81-39-41-82(42-40-81)110(90-57-65-106(66-58-90)118-72-18-14-10-6-2)94-28-22-32-98(76-94)115-86-49-47-85(48-50-86)113(97-31-21-27-93(109)75-97)101-35-25-36-102(79-101)114-87-51-53-88(54-52-87)116(104-38-26-37-103(115)80-104)100-34-24-30-96(78-100)112(92-61-69-108(70-62-92)120-74-20-16-12-8-4)84-45-43-83(44-46-84)111(95-29-23-33-99(114)77-95)91-59-67-107(68-60-91)119-73-19-15-11-7-3/h21-70,75-80H,5-20,71-74H2,1-4H3
InChI key：
KMLXSOCBZIBZGR-UHFFFAOYSA-N
SMILES：
CCCCCCOc1ccc(cc1)N1c2ccc(cc2)N(c2ccc(OCCCCCC)cc2)c2cccc(c2)N2c3ccc(cc3)N(c3cccc1c3)c1cccc(c1)N1c3ccc(cc3)N(c3cccc(c3)N(c3ccc(OCCCCCC)cc3)c3ccc(cc3)N(c3ccc(OCCCCCC)cc3)c3cccc1c3)c1cccc2c1
Systematic name (3)：
- 2,20,25,43-テトラキス[4-(ヘキシルオキシ)フェニル]-8,37-(1,4-フェニレン)-14,31-(1,4-フェニレン)-2,8,14,20,25,31,37,43-オクタアザノナシクロ[42.2.2.221,24.13,7.19,13.115,19.126,30.132,36.138,42]ヘキサペンタコンタン-1(46),3(56),4,6,9(55),10,12,15(54),16,18,21,23,26(51),27,29,32(50),33,35,38(49),39,41,44,47,52-テトラコサエン
- 13,18,36,41-テトラキス[4-(ヘキシルオキシ)フェニル]-1,7,13,18,24,30,36,41-オクタアザトリデカシクロ[28.16.4.47,24.214,17.237,40.247,50.12,6.18,12.119,23.125,29.131,35.142,46.258,61]オクタヘキサコンタ-2,4,6(66),8(65),9,11,14,16,19(62),20,22,25,27,29(57),31(56),32,34,37,39,42(53),43,45,47,49,51,54,58(68),59,61(67),63-トリアコンタエン
- 13,18,36,41-tetrakis[4-(hexyloxy)phenyl]-1,7,13,18,24,30,36,41-octaazatridecacyclo[28.16.4.47,24.214,17.237,40.247,50.12,6.18,12.119,23.125,29.131,35.142,46.258,61]octahexaconta-2,4,6(66),8(65),9,11,14,16,19(62),20,22,25,27,29(57),31(56),32,34,37,39,42(53),43,45,47,49,51,54,58(68),59,61(67),63-triacontaene
- 2,20,25,43-Tetrakis[4-(hexyloxy)phenyl]-8,37-(1,4-phenylene)-14,31-(1,4-phenylene)-2,8,14,20,25,31,37,43-octaazanonacyclo[42.2.2.221,24.13,7.19,13.115,19.126,30.132,36.138,42]hexapentacontane-1(46),3(56),4,6,9(55),10,12,15(54),16,18,21,23,26(51),27,29,32(50),33,35,38(49),39,41,44,47,52-tetracosaene
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