Chem
J-GLOBAL ID：200907060984190509   Nikkaji number：J1.140.536C

1,2-Bis[2,5-bis(dodecyloxy)-4-[2,5-bis(dodecyloxy)-4-(2,2′:6′,2′′-terpyridine-4′-ylethynyl)phenylethynyl]phenyl]ethyne

1,2-ビス[2,5-ビス(ドデシルオキシ)-4-[2,5-ビス(ドデシルオキシ)-4-(2,2′:6′,2′′-テルピリジン-4′-イルエチニル)フェニルエチニル]フェニル]エチン
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： C160H228N6O8
Molecular formula furigana： C160-H228-N6-O8
Molecular weight： 2363.618
InChI： InChI=1S/C160H228N6O8/c1-9-17-25-33-41-49-57-65-73-89-115-167-153-129-139(155(169-117-91-75-67-59-51-43-35-27-19-11-3)127-137(153)103-101-135-123-149(145-97-81-85-111-161-145)165-150(124-135)146-98-82-86-112-162-146)105-107-141-131-159(173-121-95-79-71-63-55-47-39-31-23-15-7)143(133-157(141)171-119-93-77-69-61-53-45-37-29-21-13-5)109-110-144-134-158(172-120-94-78-70-62-54-46-38-30-22-14-6)142(132-160(144)174-122-96-80-72-64-56-48-40-32-24-16-8)108-106-140-130-154(168-116-90-74-66-58-50-42-34-26-18-10-2)138(128-156(140)170-118-92-76-68-60-52-44-36-28-20-12-4)104-102-136-125-151(147-99-83-87-113-163-147)166-152(126-136)148-100-84-88-114-164-148/h81-88,97-100,111-114,123-134H,9-80,89-96,115-122H2,1-8H3
InChI key： DILAOQJBPARSHJ-UHFFFAOYSA-N
SMILES： CCCCCCCCCCCCOc1cc(C#Cc2cc(OCCCCCCCCCCCC)c(cc2OCCCCCCCCCCCC)C#Cc2cc(OCCCCCCCCCCCC)c(cc2OCCCCCCCCCCCC)C#Cc2cc(OCCCCCCCCCCCC)c(cc2OCCCCCCCCCCCC)C#Cc2cc(nc(c2)c2ccccn2)c2ccccn2)c(OCCCCCCCCCCCC)cc1C#Cc1cc(nc(c1)c1ccccn1)c1ccccn1
Systematic name  (5)：
  • 1,2-ビス[2,5-ビス(ドデシルオキシ)-4-[2,5-ビス(ドデシルオキシ)-4-(2,2′:6′,2′′-テルピリジン-4′-イルエチニル)フェニルエチニル]フェニル]エチン
  • 1,2-ビス[2,5-ビス(ドデシルオキシ)-4-[[2,5-ビス(ドデシルオキシ)-4-[(2,2′:6′,2′′-テルピリジン-4′-イル)エチニル]フェニル]エチニル]フェニル]エチン
  • 4′,4′′′′-[1,2-エチンジイルビス[2,5-ビス(ドデシルオキシ)-1,4-フェニレン(1,2-エチンジイル)[2,5-ビス(ドデシルオキシ)-1,4-フェニレン](1,2-エチンジイル)]]ビス(2,2′:6′,2′′-テルピリジン)
  • 4-{2-[4-(2-{4-[2-(4-{2-[2,5-ビス(ドデシルオキシ)-4-{2-[6-(ピリジン-2-イル)-[2,2'-ビピリジン]-4-イル]エチニル}フェニル]エチニル}-2,5-ビス(ドデシルオキシ)フェニル)エチニル]-2,5-ビス(ドデシルオキシ)フェニル}エチニル)-2,5-ビス(ドデシルオキシ)フェニル]エチニル}-6-(ピリジン-2-イル)-2,2'-ビピリジン
  • 4-{2-[4-(2-{4-[2-(4-{2-[2,5-bis(dodecyloxy)-4-{2-[6-(pyridin-2-yl)-[2,2'-bipyridin]-4-yl]ethynyl}phenyl]ethynyl}-2,5-bis(dodecyloxy)phenyl)ethynyl]-2,5-bis(dodecyloxy)phenyl}ethynyl)-2,5-bis(dodecyloxy)phenyl]ethynyl}-6-(pyridin-2-yl)-2,2'-bipyridine
Other name (3)：
  • 1,2-Bis[2,5-bis(dodecyloxy)-4-[2,5-bis(dodecyloxy)-4-(2,2′:6′,2′′-terpyridine-4′-ylethynyl)phenylethynyl]phenyl]ethyne
  • 1,2-Bis[2,5-bis(dodecyloxy)-4-[[2,5-bis(dodecyloxy)-4-[(2,2′:6′,2′′-terpyridine-4′-yl)ethynyl]phenyl]ethynyl]phenyl]ethyne
  • 4′,4′′′′-[1,2-Ethynediylbis[2,5-bis(dodecyloxy)-1,4-phenylene(1,2-ethynediyl)[2,5-bis(dodecyloxy)-1,4-phenylene](1,2-ethynediyl)]]bis(2,2′:6′,2′′-terpyridine)
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