Chem
J-GLOBAL ID:202007012643471503   Nikkaji number:J3.755.773K

2,3,11,12-テトラ(4-tert-ブチルフェニル)-7,16-ジヒドロ-1,4,5,6,7,8,9,10,13,14,15,16,17,18-テトラデカアザヘプタセン

2,3,11,12-テトラ(4-tert-ブチルフェニル)-7,16-ジヒドロ-1,4,5,6,7,8,9,10,13,14,15,16,17,18-テトラデカアザヘプタセン
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: C56H54N14
Molecular formula furigana: C56-H54-N14
Molecular weight: 923.146
InChI: InChI=1S/C56H54N14/c1-53(2,3)33-21-13-29(14-22-33)37-38(30-15-23-34(24-16-30)54(4,5)6)58-42-41(57-37)61-45-46(62-42)66-50-49(65-45)69-51-52(70-50)68-48-47(67-51)63-43-44(64-48)60-40(32-19-27-36(28-20-32)56(10,11)12)39(59-43)31-17-25-35(26-18-31)55(7,8)9/h13-28H,1-12H3,(H,57,59,61,63,65,67,69)(H,58,60,62,64,66,68,70)
InChI key: CLNRJXVDAARJAK-UHFFFAOYSA-N
SMILES: n1c(c(nc2nc3nc4[nH]c5nc6nc7nc(c(nc7nc6nc5[nH]c4nc3nc12)c1ccc(cc1)C(C)(C)C)c1ccc(cc1)C(C)(C)C)c1ccc(cc1)C(C)(C)C)c1ccc(cc1)C(C)(C)C
Systematic name  (3):
  • 2,3,11,12-テトラ(4-tert-ブチルフェニル)-7,16-ジヒドロ-1,4,5,6,7,8,9,10,13,14,15,16,17,18-テトラデカアザヘプタセン
  • 2,3,11,12-テトラキス(4-tert-ブチルフェニル)-7,16-ジヒドロ-1,4,5,6,7,8,9,10,13,14,15,16,17,18-テトラデカアザヘプタセン
  • 2,3,11,12-tetrakis(4-tert-butylphenyl)-7,16-dihydro-1,4,5,6,7,8,9,10,13,14,15,16,17,18-tetradecaazaheptacene
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