Chem
J-GLOBAL ID：200907093752743531   Nikkaji number：J2.771.507I

2,7-Di-tert-butyl-4,5-[1,3-bis(4-dodecylphenyl)-2-oxopropane-1,3-diylidene]-9,10-[1,3-bis(4-dodecylphenyl)-2-oxopropane-1,3-diylidene]-4,5,9,10-tetrahydropyrene

2,7-ジ-tert-ブチル-4,5-[1,3-ビス(4-ドデシルフェニル)-2-オキソプロパン-1,3-ジイリデン]-9,10-[1,3-ビス(4-ドデシルフェニル)-2-オキソプロパン-1,3-ジイリデン]-4,5,9,10-テトラヒドロピレン
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： C102H138O2
Molecular formula furigana： C102-H138-O2
Molecular weight： 1396.224
InChI： InChI=1S/C102H138O2/c1-11-15-19-23-27-31-35-39-43-47-51-75-55-63-79(64-56-75)89-95-85-71-83(101(5,6)7)73-87-93(85)94-86(96(95)90(99(89)103)80-65-57-76(58-66-80)52-48-44-40-36-32-28-24-20-16-12-2)72-84(102(8,9)10)74-88(94)98-92(82-69-61-78(62-70-82)54-50-46-42-38-34-30-26-22-18-14-4)100(104)91(97(87)98)81-67-59-77(60-68-81)53-49-45-41-37-33-29-25-21-17-13-3/h55-74H,11-54H2,1-10H3
InChI key： LOEUDIQXHPNTIH-UHFFFAOYSA-N
SMILES： CCCCCCCCCCCCc1ccc(cc1)C1=c2c(=C(c3ccc(CCCCCCCCCCCC)cc3)C1=O)c1cc(cc3c4=C(c5ccc(CCCCCCCCCCCC)cc5)C(=O)C(=c4c4cc(cc2c4c13)C(C)(C)C)c1ccc(CCCCCCCCCCCC)cc1)C(C)(C)C
Systematic name  (3)：
  • 2,7-ジ-tert-ブチル-4,5-[1,3-ビス(4-ドデシルフェニル)-2-オキソプロパン-1,3-ジイリデン]-9,10-[1,3-ビス(4-ドデシルフェニル)-2-オキソプロパン-1,3-ジイリデン]-4,5,9,10-テトラヒドロピレン
  • 9,19-ジ-tert-ブチル-3,5,13,15-テトラキス(4-ドデシルフェニル)ヘキサシクロ[9.9.2.02,6.07,22.012,16.017,21]ドコサ-1(21),2,5,7,9,11(22),12,15,17,19-デカエン-4,14-ジオン
  • 9,19-di-tert-butyl-3,5,13,15-tetrakis(4-dodecylphenyl)hexacyclo[9.9.2.02,6.07,22.012,16.017,21]docosa-1(21),2,5,7,9,11(22),12,15,17,19-decaene-4,14-dione
Other name (1)：
  • 2,7-Di-tert-butyl-4,5-[1,3-bis(4-dodecylphenyl)-2-oxopropane-1,3-diylidene]-9,10-[1,3-bis(4-dodecylphenyl)-2-oxopropane-1,3-diylidene]-4,5,9,10-tetrahydropyrene
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