Chem
J-GLOBAL ID：202007003729801272   Nikkaji number：J3.755.336K

3,6,9,12-テトラ-tert-ブチル-1,4,7,10-テトラヒドロ-1,4,7,10-テトラ-p-トリル-1,2,4,5,7,8,10,11-オクタアザテトラシクロペンタ[def,jkl,pqr,vwx]テトラフェニレン

3,6,9,12-テトラ-tert-ブチル-1,4,7,10-テトラヒドロ-1,4,7,10-テトラ-p-トリル-1,2,4,5,7,8,10,11-オクタアザテトラシクロペンタ[def,jkl,pqr,vwx]テトラフェニレン
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： C64H64N8
Molecular formula furigana： C64-H64-N8
Molecular weight： 945.272
InChI： InChI=1S/C64H64N8/c1-33-17-25-37(26-18-33)69-49-41-45-42-47-44-48-43-46(41)58(66-53(49)61(5,6)7)71(39-29-21-35(3)22-30-39)51(43)55(63(11,12)13)68-60(48)72(40-31-23-36(4)24-32-40)52(44)56(64(14,15)16)67-59(47)70(38-27-19-34(2)20-28-38)50(42)54(62(8,9)10)65-57(45)69/h17-32H,1-16H3
InChI key： GUTZKXKMLGWWEI-UHFFFAOYSA-N
SMILES： c1(nc2c3c4c1n(c1c4c4c(c(n1)C(C)(C)C)n(c1c4c4c5c3c(n2c2ccc(cc2)C)c(nc5n(c4c(n1)C(C)(C)C)c1ccc(cc1)C)C(C)(C)C)c1ccc(cc1)C)c1ccc(cc1)C)C(C)(C)C
Systematic name  (3)：
  • 3,6,9,12-テトラ-tert-ブチル-1,4,7,10-テトラヒドロ-1,4,7,10-テトラ-p-トリル-1,2,4,5,7,8,10,11-オクタアザテトラシクロペンタ[def,jkl,pqr,vwx]テトラフェニレン
  • 3,8,13,18-テトラ-tert-ブチル-5,10,15,28-テトラキス(4-メチルフェニル)-2,5,7,10,12,15,17,28-オクタアザノナシクロ[17.8.1.04,26.06,25.09,24.011,23.014,22.016,21.020,27]オクタコサ-1(27),2,4(26),6(25),7,9(24),11(23),12,14(22),16(21),17,19-ドデカエン
  • 3,8,13,18-tetra-tert-butyl-5,10,15,28-tetrakis(4-methylphenyl)-2,5,7,10,12,15,17,28-octaazanonacyclo[17.8.1.04,26.06,25.09,24.011,23.014,22.016,21.020,27]octacosa-1(27),2,4(26),6(25),7,9(24),11(23),12,14(22),16(21),17,19-dodecaene
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