Chem
J-GLOBAL ID：200907043160583771   Nikkaji number：J1.679.858D

2′,2′′′-(5-Nitro-m-phenylenebisethynylene)-[2,2′′-(5-nitro-m-phenylenebisethynylene)bis(1,1′-binaphthalene)]

2′,2′′′-(5-ニトロ-m-フェニレンビスエチニレン)-[2,2′′-(5-ニトロ-m-フェニレンビスエチニレン)ビス(1,1′-ビナフタレン)]
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： C60H30[N+]2O2[O-]2
Molecular formula furigana： C60-H30-N2-O4
Molecular weight： 842.910
InChI： InChI=1S/C60H30N2O4/c63-61(64)51-35-39-17-21-47-29-25-43-9-1-5-13-53(43)57(47)58-48(30-26-44-10-2-6-14-54(44)58)22-18-40-34-42(38-52(36-40)62(65)66)20-24-50-32-28-46-12-4-8-16-56(46)60(50)59-49(23-19-41(33-39)37-51)31-27-45-11-3-7-15-55(45)59/h1-16,25-38H
InChI key： SPAQKARCOVYLND-UHFFFAOYSA-N
SMILES： [O-][N+](=O)c1cc2cc(c1)C#Cc1ccc3ccccc3c1c1c(ccc3ccccc13)C#Cc1cc(cc(c1)[N+](=O)[O-])C#Cc1ccc3ccccc3c1c1c(ccc3ccccc13)C#C2
Systematic name  (5)：
  • 2,2′′-[(5-ニトロ-1,3-フェニレン)ビスエチニレン]-2′,2′′′-[(5-ニトロ-1,3-フェニレン)ビスエチニレン]-ビス(1,1′-ビナフタレン)
  • 2,2′′-[(5-ニトロ-1,3-フェニレン)ビスエチニレン]-2′,2′′′-[(5-ニトロ-1,3-フェニレン)ビスエチニレン]ビス(1,1′-ビナフタレン)
  • 2′,2′′′-(5-ニトロ-m-フェニレンビスエチニレン)-[2,2′′-(5-ニトロ-m-フェニレンビスエチニレン)ビス(1,1′-ビナフタレン)]
  • 28,57-ジニトロウンデカシクロ[53.3.1.126,30.04,13.07,12.014,23.015,20.033,42.036,41.043,52.044,49]ヘキサコンタ-1(59),4,6,8,10,12,14,16,18,20,22,26,28,30(60),33,35,37,39,41,43,45,47,49,51,55,57-ヘキサコサエン-2,24,31,53-テトライン
  • 28,57-dinitroundecacyclo[53.3.1.126,30.04,13.07,12.014,23.015,20.033,42.036,41.043,52.044,49]hexaconta-1(59),4,6,8,10,12,14,16,18,20,22,26,28,30(60),33,35,37,39,41,43,45,47,49,51,55,57-hexacosaen-2,24,31,53-tetrayne
Other name (3)：
  • 2,2′′-[(5-Nitro-1,3-phenylene)bisethynylene]-2′,2′′′-[(5-nitro-1,3-phenylene)bisethynylene]-bis(1,1′-binaphthalene)
  • 2,2′′-[(5-Nitro-1,3-phenylene)bisethynylene]-2′,2′′′-[(5-nitro-1,3-phenylene)bisethynylene]bis(1,1′-binaphthalene)
  • 2′,2′′′-(5-Nitro-m-phenylenebisethynylene)-[2,2′′-(5-nitro-m-phenylenebisethynylene)bis(1,1′-binaphthalene)]
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