Chem
J-GLOBAL ID：200907055019963348   Nikkaji number：J2.313.289C

1,4-Bis[3,3,3-tris(3-methoxyphenyl)-1-propynyl]benzene

1,4-ビス[3,3,3-トリス(3-メトキシフェニル)-1-プロピニル]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： C54H46O6
Molecular formula furigana： C54-H46-O6
Molecular weight： 790.956
InChI： InChI=1S/C54H46O6/c1-55-47-19-7-13-41(33-47)53(42-14-8-20-48(34-42)56-2,43-15-9-21-49(35-43)57-3)31-29-39-25-27-40(28-26-39)30-32-54(44-16-10-22-50(36-44)58-4,45-17-11-23-51(37-45)59-5)46-18-12-24-52(38-46)60-6/h7-28,33-38H,1-6H3
InChI key： IEJKQFXFONLVAA-UHFFFAOYSA-N
SMILES： COc1cccc(c1)C(C#Cc1ccc(cc1)C#CC(c1cccc(OC)c1)(c1cccc(OC)c1)c1cccc(OC)c1)(c1cccc(OC)c1)c1cccc(OC)c1
Systematic name  (4)：
  • 1,4-ビス[3,3,3-トリス(3-メトキシフェニル)-1-プロピニル]ベンゼン
  • 1,1′-(1,4-フェニレン)ビス[3,3,3-トリス(3-メトキシフェニル)-1-プロピン]
  • 1-[1,1-ビス(3-メトキシフェニル)-3-{4-[3,3,3-トリス(3-メトキシフェニル)プロパ-1-イン-1-イル]フェニル}プロパ-2-イン-1-イル]-3-メトキシベンゼン
  • 1-[1,1-bis(3-methoxyphenyl)-3-{4-[3,3,3-tris(3-methoxyphenyl)prop-1-yn-1-yl]phenyl}prop-2-yn-1-yl]-3-methoxybenzene
Other name (2)：
  • 1,4-Bis[3,3,3-tris(3-methoxyphenyl)-1-propynyl]benzene
  • 1,1′-(1,4-Phenylene)bis[3,3,3-tris(3-methoxyphenyl)-1-propyne]
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