Chem
J-GLOBAL ID：201107070498804701
Nikkaji number：J2.893.222G
1,3,6,8-Tetrakis[4′′-(2-ethylhexyl)-1,1′:4′,1′′-terbenzene-4-yl]pyrene
1,3,6,8-テトラキス[4′′-(2-エチルヘキシル)-1,1′:4′,1′′-テルベンゼン-4-イル]ピレン
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
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
Molecular formula： C120H122
Molecular formula furigana： C120-H122
Molecular weight： 1564.296
InChI：
InChI=1S/C120H122/c1-9-17-21-83(13-5)77-87-25-33-91(34-26-87)95-41-49-99(50-42-95)103-57-65-107(66-58-103)115-81-116(108-67-59-104(60-68-108)100-51-43-96(44-52-100)92-35-27-88(28-36-92)78-84(14-6)22-18-10-2)112-75-76-114-118(110-71-63-106(64-72-110)102-55-47-98(48-56-102)94-39-31-90(32-40-94)80-86(16-8)24-20-12-4)82-117(113-74-73-111(115)119(112)120(113)114)109-69-61-105(62-70-109)101-53-45-97(46-54-101)93-37-29-89(30-38-93)79-85(15-7)23-19-11-3/h25-76,81-86H,9-24,77-80H2,1-8H3
InChI key：
IGSUGKMUGLXTQN-UHFFFAOYSA-N
SMILES：
CCCCC(CC)Cc1ccc(cc1)c1ccc(cc1)c1ccc(cc1)c1cc(c2ccc(cc2)c2ccc(cc2)c2ccc(CC(CC)CCCC)cc2)c2ccc3c(cc(c4ccc(cc4)c4ccc(cc4)c4ccc(CC(CC)CCCC)cc4)c4ccc1c2c34)c1ccc(cc1)c1ccc(cc1)c1ccc(CC(CC)CCCC)cc1
Systematic name (3)：
- 1,3,6,8-テトラキス[4′′-(2-エチルヘキシル)-1,1′:4′,1′′-テルベンゼン-4-イル]ピレン
- 1,3,6-トリス({4-[4'-(2-エチルヘキシル)-[1,1'-ビフェニル]-4-イル]フェニル})-8-{4'-[4-(2-エチルヘキシル)フェニル]-[1,1'-ビフェニル]-4-イル}ピレン
- 1,3,6-tris({4-[4'-(2-ethylhexyl)-[1,1'-biphenyl]-4-yl]phenyl})-8-{4'-[4-(2-ethylhexyl)phenyl]-[1,1'-biphenyl]-4-yl}pyrene
- 1,3,6,8-Tetrakis[4′′-(2-ethylhexyl)-1,1′:4′,1′′-terbenzene-4-yl]pyrene
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