Chem
J-GLOBAL ID：201307029148806358   Nikkaji number：J3.204.370D

1-[11-(2,5-Dimethylphenylethynyl)tricyclo[8.2.2.24,7]hexadeca-1(12),4,6,10,13,15-hexaene-5-ylethynyl]-2,5-bis(dodecyloxy)-4-[11-[7-(2,5-dimethylphenylethynyl)-2,1,3-benzothiadiazole-4-ylethynyl]tricyclo[8.2.2.24,7]hexadeca-1(12),4,6,10,13,15-hexaene-5-ylethynyl]benzene

1-[11-(2,5-ジメチルフェニルエチニル)トリシクロ[8.2.2.24,7]ヘキサデカ-1(12),4,6,10,13,15-ヘキサエン-5-イルエチニル]-2,5-ビス(ドデシルオキシ)-4-[11-[7-(2,5-ジメチルフェニルエチニル)-2,1,3-ベンゾチアジアゾール-4-イルエチニル]トリシクロ[8.2.2.24,7]ヘキサデカ-1(12),4,6,10,13,15-ヘキサエン-5-イルエチニル]ベンゼン
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： C94H100N2O2S
Molecular formula furigana： C94-H100-N2-O2-S
Molecular weight： 1321.910
InChI： InChI=1S/C94H100N2O2S/c1-7-9-11-13-15-17-19-21-23-25-59-97-91-68-90(58-56-88-66-76-34-42-78-41-33-74(36-44-80(88)46-38-76)64-86(78)54-52-84-62-70(4)28-30-72(84)6)92(98-60-26-24-22-20-18-16-14-12-10-8-2)67-89(91)57-55-87-65-75-32-40-77-39-31-73(35-43-79(87)45-37-75)63-85(77)53-50-82-48-47-81(93-94(82)96-99-95-93)49-51-83-61-69(3)27-29-71(83)5/h27-31,33,37-39,41,45-48,61-68H,7-26,32,34-36,40,42-44,59-60H2,1-6H3
InChI key： VMBGNLJBBRFTGG-UHFFFAOYSA-N
SMILES： CCCCCCCCCCCCOc1cc(C#Cc2cc3CCc4ccc(CCc2cc3)cc4C#Cc2ccc(C#Cc3cc(C)ccc3C)c3nsnc23)c(OCCCCCCCCCCCC)cc1C#Cc1cc2CCc3ccc(CCc1cc2)cc3C#Cc1cc(C)ccc1C
Systematic name  (5)：
  • 1-[[11-[(2,5-ジメチルフェニル)エチニル]トリシクロ[8.2.2.24,7]ヘキサデカン-1(13),4,6,10(14),11,15-ヘキサエン-5-イル]エチニル]-4-[[11-[[7-[(2,5-ジメチルフェニル)エチニル]-2,1,3-ベンゾチアジアゾール-4-イル]エチニル]トリシクロ[8.2.2.24,7]ヘキサデカン-1(13),4,6,10(14),11,15-ヘキサエン-5-イル]エチニル]-2,5-ビス(ドデシルオキシ)ベンゼン
  • 1,4-ビス(ドデシルオキシ)-2-[11-[7-(2,5-ジメチルフェニルエチニル)-2,1,3-ベンゾチアジアゾール-4-イルエチニル]トリシクロ[8.2.2.24,7]ヘキサデカ-1(12),4,6,10,13,15-ヘキサエン-5-イルエチニル]-5-[11-(2,5-ジメチルフェニルエチニル)トリシクロ[8.2.2.24,7]ヘキサデカ-1(12),4,6,10,13,15-ヘキサエン-5-イルエチニル]ベンゼン
  • 1-[11-(2,5-ジメチルフェニルエチニル)トリシクロ[8.2.2.24,7]ヘキサデカ-1(12),4,6,10,13,15-ヘキサエン-5-イルエチニル]-2,5-ビス(ドデシルオキシ)-4-[11-[7-(2,5-ジメチルフェニルエチニル)-2,1,3-ベンゾチアジアゾール-4-イルエチニル]トリシクロ[8.2.2.24,7]ヘキサデカ-1(12),4,6,10,13,15-ヘキサエン-5-イルエチニル]ベンゼン
  • 4-[2-(2,5-ジメチルフェニル)エチニル]-7-[2-(14-{2-[4-(2-{14-[2-(2,5-ジメチルフェニル)エチニル]トリシクロ[8.2.2.24,7]ヘキサデカ-1(12),4(16),5,7(15),10,13-ヘキサエン-5-イル}エチニル)-2,5-ビス(ドデシルオキシ)フェニル]エチニル}トリシクロ[8.2.2.24,7]ヘキサデカ-1(12),4(16),5,7(15),10,13-ヘキサエン-5-イル)エチニル]-2,1,3-ベンゾチアジアゾール
  • 4-[2-(2,5-dimethylphenyl)ethynyl]-7-[2-(14-{2-[4-(2-{14-[2-(2,5-dimethylphenyl)ethynyl]tricyclo[8.2.2.24,7]hexadeca-1(12),4(16),5,7(15),10,13-hexaen-5-yl}ethynyl)-2,5-bis(dodecyloxy)phenyl]ethynyl}tricyclo[8.2.2.24,7]hexadeca-1(12),4(16),5,7(15),10,13-hexaen-5-yl)ethynyl]-2,1,3-benzothiadiazole
Other name (3)：
  • 1-[[11-[(2,5-Dimethylphenyl)ethynyl]tricyclo[8.2.2.24,7]hexadecane-1(13),4,6,10(14),11,15-hexaene-5-yl]ethynyl]-4-[[11-[[7-[(2,5-dimethylphenyl)ethynyl]-2,1,3-benzothiadiazole-4-yl]ethynyl]tricyclo[8.2.2.24,7]hexadecane-1(13),4,6,10(14),11,15-hexaene-5-yl]ethynyl]-2,5-bis(dodecyloxy)benzene
  • 1,4-Bis(dodecyloxy)-2-[11-[7-(2,5-dimethylphenylethynyl)-2,1,3-benzothiadiazole-4-ylethynyl]tricyclo[8.2.2.24,7]hexadeca-1(12),4,6,10,13,15-hexaene-5-ylethynyl]-5-[11-(2,5-dimethylphenylethynyl)tricyclo[8.2.2.24,7]hexadeca-1(12),4,6,10,13,15-hexaene-5-ylethynyl]benzene
  • 1-[11-(2,5-Dimethylphenylethynyl)tricyclo[8.2.2.24,7]hexadeca-1(12),4,6,10,13,15-hexaene-5-ylethynyl]-2,5-bis(dodecyloxy)-4-[11-[7-(2,5-dimethylphenylethynyl)-2,1,3-benzothiadiazole-4-ylethynyl]tricyclo[8.2.2.24,7]hexadeca-1(12),4,6,10,13,15-hexaene-5-ylethynyl]benzene
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