Chem
J-GLOBAL ID：202007001547992851   Nikkaji number：J3.755.774I

2,3,11,12-テトラ(3,5-ジ-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(3,5-ジ-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： C72H86N14
Molecular formula furigana： C72-H86-N14
Molecular weight： 1147.578
InChI： InChI=1S/C72H86N14/c1-65(2,3)41-25-37(26-42(33-41)66(4,5)6)49-50(38-27-43(67(7,8)9)34-44(28-38)68(10,11)12)74-54-53(73-49)77-57-58(78-54)82-62-61(81-57)85-63-64(86-62)84-60-59(83-63)79-55-56(80-60)76-52(40-31-47(71(19,20)21)36-48(32-40)72(22,23)24)51(75-55)39-29-45(69(13,14)15)35-46(30-39)70(16,17)18/h25-36H,1-24H3,(H,73,75,77,79,81,83,85)(H,74,76,78,80,82,84,86)
InChI key： LIFWSYJRNZLEMD-UHFFFAOYSA-N
SMILES： n1c(c(nc2nc3nc4[nH]c5nc6nc7nc(c(nc7nc6nc5[nH]c4nc3nc12)c1cc(cc(c1)C(C)(C)C)C(C)(C)C)c1cc(cc(c1)C(C)(C)C)C(C)(C)C)c1cc(cc(c1)C(C)(C)C)C(C)(C)C)c1cc(cc(c1)C(C)(C)C)C(C)(C)C
Systematic name  (3)：
  • 2,3,11,12-テトラ(3,5-ジ-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(3,5-ジ-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(3,5-di-tert-butylphenyl)-7,16-dihydro-1,4,5,6,7,8,9,10,13,14,15,16,17,18-tetradecaazaheptacene
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Thesaurus Map

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