Chem
J-GLOBAL ID：201107077012988223   Nikkaji number：J2.893.223E

1,3,6,8-Tetrakis[3′′-(2-ethylhexyl)-5′′-methoxy-1,1′:4′,1′′-terbenzene-4-yl]pyrene

1,3,6,8-テトラキス[3′′-(2-エチルヘキシル)-5′′-メトキシ-1,1′:4′,1′′-テルベンゼン-4-イル]ピレン
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： C124H130O4
Molecular formula furigana： C124-H130-O4
Molecular weight： 1684.400
InChI： InChI=1S/C124H130O4/c1-13-21-25-83(17-5)65-87-69-107(77-111(73-87)125-9)99-37-29-91(30-38-99)95-45-53-103(54-46-95)119-81-120(104-55-47-96(48-56-104)92-31-39-100(40-32-92)108-70-88(74-112(78-108)126-10)66-84(18-6)26-22-14-2)116-63-64-118-122(106-59-51-98(52-60-106)94-35-43-102(44-36-94)110-72-90(76-114(80-110)128-12)68-86(20-8)28-24-16-4)82-121(117-62-61-115(119)123(116)124(117)118)105-57-49-97(50-58-105)93-33-41-101(42-34-93)109-71-89(75-113(79-109)127-11)67-85(19-7)27-23-15-3/h29-64,69-86H,13-28,65-68H2,1-12H3
InChI key： UWZIAOWFZPIMAI-UHFFFAOYSA-N
SMILES： CCCCC(CC)Cc1cc(OC)cc(c1)c1ccc(cc1)c1ccc(cc1)c1cc(c2ccc(cc2)c2ccc(cc2)c2cc(CC(CC)CCCC)cc(OC)c2)c2ccc3c(cc(c4ccc(cc4)c4ccc(cc4)c4cc(CC(CC)CCCC)cc(OC)c4)c4ccc1c2c34)c1ccc(cc1)c1ccc(cc1)c1cc(CC(CC)CCCC)cc(OC)c1
Systematic name  (3)：
  • 1,3,6,8-テトラキス[3′′-(2-エチルヘキシル)-5′′-メトキシ-1,1′:4′,1′′-テルベンゼン-4-イル]ピレン
  • 1,3,6-トリス({4-[3'-(2-エチルヘキシル)-5'-メトキシ-[1,1'-ビフェニル]-4-イル]フェニル})-8-{4'-[3-(2-エチルヘキシル)-5-メトキシフェニル]-[1,1'-ビフェニル]-4-イル}ピレン
  • 1,3,6-tris({4-[3'-(2-ethylhexyl)-5'-methoxy-[1,1'-biphenyl]-4-yl]phenyl})-8-{4'-[3-(2-ethylhexyl)-5-methoxyphenyl]-[1,1'-biphenyl]-4-yl}pyrene
Other name (1)：
  • 1,3,6,8-Tetrakis[3′′-(2-ethylhexyl)-5′′-methoxy-1,1′:4′,1′′-terbenzene-4-yl]pyrene
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