Chem
J-GLOBAL ID:200907026402473265   Nikkaji number:J2.323.502A

2,12-Didodecyl-5,9,16-trimethyl-7,14,18-trimesityl-5,9,16-triaza-7,14,18-triboraheptacene

2,12-ジドデシル-5,9,16-トリメチル-7,14,18-トリメシチル-5,9,16-トリアザ-7,14,18-トリボラヘプタセン
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: C78H102B3N3
Molecular formula furigana: C78-H102-B3-N3
Molecular weight: 1114.130
InChI: InChI=1S/C78H102B3N3/c1-15-17-19-21-23-25-27-29-31-33-35-62-37-39-70-64(47-62)79(76-56(6)41-53(3)42-57(76)7)66-51-74-68(49-72(66)82(70)12)81(78-60(10)45-55(5)46-61(78)11)69-50-73-67(52-75(69)84(74)14)80(77-58(8)43-54(4)44-59(77)9)65-48-63(38-40-71(65)83(73)13)36-34-32-30-28-26-24-22-20-18-16-2/h37-52H,15-36H2,1-14H3
InChI key: MVBZVBHGKUNSEA-UHFFFAOYSA-N
SMILES: CCCCCCCCCCCCc1ccc2N(C)c3cc4B(c5cc6N(C)c7ccc(CCCCCCCCCCCC)cc7B(c6cc5N(C)c4cc3B(c2c1)c1c(C)cc(C)cc1C)c1c(C)cc(C)cc1C)c1c(C)cc(C)cc1C
Systematic name  (5):
  • 2,12-ジドデシル-5,9,16-トリメチル-7,14,18-トリメシチル-5,7,9,14,16,18-ヘキサヒドロ-5,9,16-トリアザ-7,14,18-トリボラヘプタセン
  • 5,7,9,14,16,18-ヘキサヒドロ-5,9,16-トリメチル-2,12-ジドデシル-7,14,18-トリメシチル-5,9,16-トリアザ-7,14,18-トリボラヘプタセン
  • 2,12-ジドデシル-5,9,16-トリメチル-7,14,18-トリメシチル-5,9,16-トリアザ-7,14,18-トリボラヘプタセン
  • 2,12-ジドデシル-5,9,16-トリメチル-7,14,18-トリス(2,4,6-トリメチルフェニル)-5,7,9,14,16,18-ヘキサヒドロ-5,9,16-トリアザ-7,14,18-トリボラヘプタセン
  • 2,12-didodecyl-5,9,16-trimethyl-7,14,18-tris(2,4,6-trimethylphenyl)-5,7,9,14,16,18-hexahydro-5,9,16-triaza-7,14,18-triboraheptacene
Other name (3):
  • 2,12-Didodecyl-5,9,16-trimethyl-7,14,18-trimesityl-5,7,9,14,16,18-hexahydro-5,9,16-triaza-7,14,18-triboraheptacene
  • 5,7,9,14,16,18-Hexahydro-5,9,16-trimethyl-2,12-didodecyl-7,14,18-trimesityl-5,9,16-triaza-7,14,18-triboraheptacene
  • 2,12-Didodecyl-5,9,16-trimethyl-7,14,18-trimesityl-5,9,16-triaza-7,14,18-triboraheptacene
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