Chem
J-GLOBAL ID：200907011172042220   Nikkaji number：J904.992D

4-[[4-[[4-[[4-[[4-[[4-[[4-[[4-[(4-Bromo-2,5-dihexylphenyl)ethynyl]-2,5-dihexylphenyl]ethynyl]-2,5-dihexylphenyl]ethynyl]-2,5-dihexylphenyl]ethynyl]-2,5-dihexylphenyl]ethynyl]-2,5-dihexylphenyl]ethynyl]-2,5-dihexylphenyl]ethynyl]-2,5-dihexylphenyl]ethynyl]benzoic acid

4-[[4-[[4-[[4-[[4-[[4-[[4-[[4-[(4-ブロモ-2,5-ジヘキシルフェニル)エチニル]-2,5-ジヘキシルフェニル]エチニル]-2,5-ジヘキシルフェニル]エチニル]-2,5-ジヘキシルフェニル]エチニル]-2,5-ジヘキシルフェニル]エチニル]-2,5-ジヘキシルフェニル]エチニル]-2,5-ジヘキシルフェニル]エチニル]-2,5-ジヘキシルフェニル]エチニル]安息香酸
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： C167H229BrO2
Molecular formula furigana： C167-H229-BR-O2
Molecular weight： 2348.571
InChI： InChI=1S/C167H229BrO2/c1-17-33-49-65-81-135-118-151(136(82-66-50-34-18-2)117-150(135)102-99-133-97-100-134(101-98-133)167(169)170)103-104-152-119-138(84-68-52-36-20-4)153(120-137(152)83-67-51-35-19-3)105-106-154-121-140(86-70-54-38-22-6)155(122-139(154)85-69-53-37-21-5)107-108-156-123-142(88-72-56-40-24-8)157(124-141(156)87-71-55-39-23-7)109-110-158-125-144(90-74-58-42-26-10)159(126-143(158)89-73-57-41-25-9)111-112-160-127-146(92-76-60-44-28-12)161(128-145(160)91-75-59-43-27-11)113-114-162-129-148(94-78-62-46-30-14)163(130-147(162)93-77-61-45-29-13)115-116-164-131-165(96-80-64-48-32-16)166(168)132-149(164)95-79-63-47-31-15/h97-98,100-101,117-132H,17-96H2,1-16H3,(H,169,170)
InChI key： FBYDGNMXLRFJOB-UHFFFAOYSA-N
SMILES： CCCCCCc1cc(C#Cc2cc(CCCCCC)c(cc2CCCCCC)C#Cc2cc(CCCCCC)c(cc2CCCCCC)C#Cc2cc(CCCCCC)c(cc2CCCCCC)C#Cc2cc(CCCCCC)c(cc2CCCCCC)C#Cc2cc(CCCCCC)c(cc2CCCCCC)C#Cc2cc(CCCCCC)c(cc2CCCCCC)C#Cc2cc(CCCCCC)c(cc2CCCCCC)C#Cc2ccc(cc2)C(=O)O)c(CCCCCC)cc1Br
Systematic name  (3)：
  • 4-[[4-[[4-[[4-[[4-[[4-[[4-[[4-[(4-ブロモ-2,5-ジヘキシルフェニル)エチニル]-2,5-ジヘキシルフェニル]エチニル]-2,5-ジヘキシルフェニル]エチニル]-2,5-ジヘキシルフェニル]エチニル]-2,5-ジヘキシルフェニル]エチニル]-2,5-ジヘキシルフェニル]エチニル]-2,5-ジヘキシルフェニル]エチニル]-2,5-ジヘキシルフェニル]エチニル]安息香酸
  • 4-(2-{4-[2-(4-{2-[4-(2-{4-[2-(4-{2-[4-(2-{4-[2-(4-ブロモ-2,5-ジヘキシルフェニル)エチニル]-2,5-ジヘキシルフェニル}エチニル)-2,5-ジヘキシルフェニル]エチニル}-2,5-ジヘキシルフェニル)エチニル]-2,5-ジヘキシルフェニル}エチニル)-2,5-ジヘキシルフェニル]エチニル}-2,5-ジヘキシルフェニル)エチニル]-2,5-ジヘキシルフェニル}エチニル)安息香酸
  • 4-(2-{4-[2-(4-{2-[4-(2-{4-[2-(4-{2-[4-(2-{4-[2-(4-bromo-2,5-dihexylphenyl)ethynyl]-2,5-dihexylphenyl}ethynyl)-2,5-dihexylphenyl]ethynyl}-2,5-dihexylphenyl)ethynyl]-2,5-dihexylphenyl}ethynyl)-2,5-dihexylphenyl]ethynyl}-2,5-dihexylphenyl)ethynyl]-2,5-dihexylphenyl}ethynyl)benzoic acid
Other name (1)：
  • 4-[[4-[[4-[[4-[[4-[[4-[[4-[[4-[(4-Bromo-2,5-dihexylphenyl)ethynyl]-2,5-dihexylphenyl]ethynyl]-2,5-dihexylphenyl]ethynyl]-2,5-dihexylphenyl]ethynyl]-2,5-dihexylphenyl]ethynyl]-2,5-dihexylphenyl]ethynyl]-2,5-dihexylphenyl]ethynyl]-2,5-dihexylphenyl]ethynyl]benzoic acid
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