Chem
J-GLOBAL ID:201807006942622781   Nikkaji number:J3.722.665C

3,6-[[9-(2-Ethylhexyl)-9H-carbazole-3,6-diyl]bis[ethynylene[4,6-bis[(2-ethylhexyl)oxy]-m-phenylene]ethynylene]]-9-(2-ethylhexyl)-9H-carbazole

3,6-[[9-(2-エチルヘキシル)-9H-カルバゾール-3,6-ジイル]ビス[エチニレン[4,6-ビス[(2-エチルヘキシル)オキシ]-m-フェニレン]エチニレン]]-9-(2-エチルヘキシル)-9H-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: C92H118N2O4
Molecular formula furigana: C92-H118-N2-O4
Molecular weight: 1315.966
InChI: InChI=1S/C92H118N2O4/c1-13-25-31-67(19-7)61-93-85-49-41-73-37-45-77-57-79(91(97-65-71(23-11)35-29-17-5)59-89(77)95-63-69(21-9)33-27-15-3)47-39-75-43-51-87-83(55-75)84-56-76(44-52-88(84)94(87)62-68(20-8)32-26-14-2)40-48-80-58-78(46-38-74-42-50-86(93)82(54-74)81(85)53-73)90(96-64-70(22-10)34-28-16-4)60-92(80)98-66-72(24-12)36-30-18-6/h41-44,49-60,67-72H,13-36,61-66H2,1-12H3
InChI key: YXWORZYZBQJSMH-UHFFFAOYSA-N
SMILES: CCCCC(CC)COc1cc(OCC(CC)CCCC)c2cc1C#Cc1ccc3n(CC(CC)CCCC)c4ccc(cc4c3c1)C#Cc1cc(C#Cc3ccc4n(CC(CC)CCCC)c5ccc(cc5c4c3)C#C2)c(OCC(CC)CCCC)cc1OCC(CC)CCCC
Systematic name  (3):
  • 3,6-[[9-(2-エチルヘキシル)-9H-カルバゾール-3,6-ジイル]ビス[エチニレン[4,6-ビス[(2-エチルヘキシル)オキシ]-m-フェニレン]エチニレン]]-9-(2-エチルヘキシル)-9H-カルバゾール
  • 40,43-ビス(2-エチルヘキシル)-10,12,29,31-テトラキス[(2-エチルヘキシル)オキシ]-40,43-ジアザノナシクロ[33.3.1.12,6.13,38.19,13.116,20.119,22.121,25.128,32]ヘキサテトラコンタ-1(38),2,4,6(46),9,11,13(45),16(44),17,19,21,23,25(42),28(41),29,31,35(39),36-オクタデカエン-7,14,26,33-テトライン
  • 40,43-bis(2-ethylhexyl)-10,12,29,31-tetrakis[(2-ethylhexyl)oxy]-40,43-diazanonacyclo[33.3.1.12,6.13,38.19,13.116,20.119,22.121,25.128,32]hexatetraconta-1(38),2,4,6(46),9,11,13(45),16(44),17,19,21,23,25(42),28(41),29,31,35(39),36-octadecaen-7,14,26,33-tetrayne
Other name (1):
  • 3,6-[[9-(2-Ethylhexyl)-9H-carbazole-3,6-diyl]bis[ethynylene[4,6-bis[(2-ethylhexyl)oxy]-m-phenylene]ethynylene]]-9-(2-ethylhexyl)-9H-carbazole
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