Chem
J-GLOBAL ID：202007004949587502   Nikkaji number：J3.755.436G

5,11,16,17-テトラキス[(3,5-ジ-tert-ブチルフェニル)エチニル]-8H-ジナフト[2,3-c:2′,3′-g]カルバゾール

5,11,16,17-テトラキス[(3,5-ジ-tert-ブチルフェニル)エチニル]-8H-ジナフト[2,3-c:2′,3′-g]カルバゾール
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： C92H97N
Molecular formula furigana： C92-H97-N
Molecular weight： 1216.795
InChI： InChI=1S/C92H97N/c1-85(2,3)61-45-57(46-62(53-61)86(4,5)6)33-37-73-69-29-25-27-31-71(69)75(39-35-59-49-65(89(13,14)15)55-66(50-59)90(16,17)18)81-77(73)41-43-79-83(81)84-80(93-79)44-42-78-74(38-34-58-47-63(87(7,8)9)54-64(48-58)88(10,11)12)70-30-26-28-32-72(70)76(82(78)84)40-36-60-51-67(91(19,20)21)56-68(52-60)92(22,23)24/h25-32,41-56,93H,1-24H3
InChI key： GBLXQFIFGOIBDS-UHFFFAOYSA-N
SMILES： c1cc2c(c3c([nH]2)ccc2c3c(c3c(cccc3)c2C#Cc2cc(cc(c2)C(C)(C)C)C(C)(C)C)C#Cc2cc(cc(c2)C(C)(C)C)C(C)(C)C)c2c1c(c1c(cccc1)c2C#Cc1cc(cc(c1)C(C)(C)C)C(C)(C)C)C#Cc1cc(cc(c1)C(C)(C)C)C(C)(C)C
Systematic name  (3)：
  • 5,11,16,17-テトラキス[(3,5-ジ-tert-ブチルフェニル)エチニル]-8H-ジナフト[2,3-c:2′,3′-g]カルバゾール
  • 4,11,21,28-テトラキス[2-(3,5-ジ-tert-ブチルフェニル)エチニル]-16-アザヘプタシクロ[15.12.0.02,15.03,12.05,10.020,29.022,27]ノナコサ-1(29),2,4,6,8,10,12,14,17,19,21,23,25,27-テトラデカエン
  • 4,11,21,28-tetrakis[2-(3,5-di-tert-butylphenyl)ethynyl]-16-azaheptacyclo[15.12.0.02,15.03,12.05,10.020,29.022,27]nonacosa-1(29),2,4,6,8,10,12,14,17,19,21,23,25,27-tetradecaene
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