Chem
J-GLOBAL ID：201007056500265937   Nikkaji number：J2.796.626H

7,14-Bis(3,5-di-tert-butyl-4-oxo-2,5-cyclohexadienylidene)-7,14-dihydrophenanthro[1,10,9,8-opqra]perylene

7,14-ビス(3,5-ジ-tert-ブチル-4-オキソ-2,5-シクロヘキサジエニリデン)-7,14-ジヒドロフェナントロ[1,10,9,8-opqra]ペリレン
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： C56H52O2
Molecular formula furigana： C56-H52-O2
Molecular weight： 757.030
InChI： InChI=1S/C56H52O2/c1-53(2,3)39-25-29(26-40(51(39)57)54(4,5)6)43-35-21-13-17-31-33-19-15-23-37-44(30-27-41(55(7,8)9)52(58)42(28-30)56(10,11)12)38-24-16-20-34-32-18-14-22-36(43)46(32)49(45(31)35)50(47(33)37)48(34)38/h13-28H,1-12H3
InChI key： QUQXVVORYNXXRO-UHFFFAOYSA-N
SMILES： CC(C)(C)C1=C/C(=c/2\c3cccc4c5cccc6c5c5c7c(cccc7/c/6=C\6/C=C(C(=O)C(=C6)C(C)(C)C)C(C)(C)C)c6cccc2c6c5c34)/C=C(C1=O)C(C)(C)C
Systematic name  (3)：
  • 7,14-ビス(3,5-ジ-tert-ブチル-4-オキソ-2,5-シクロヘキサジエニリデン)-7,14-ジヒドロフェナントロ[1,10,9,8-opqra]ペリレン
  • 2,6-ジ-tert-ブチル-4-[20-(3,5-ジ-tert-ブチル-4-オキソシクロヘキサ-2,5-ジエン-1-イリデン)オクタシクロ[13.11.1.12,10.03,8.04,25.019,27.021,26.014,28]オクタコサ-1(27),2(28),3,5,7,10,12,14,16,18,21,23,25-トリデカエン-9-イリデン]シクロヘキサ-2,5-ジエン-1-オン
  • 2,6-di-tert-butyl-4-[20-(3,5-di-tert-butyl-4-oxocyclohexa-2,5-dien-1-ylidene)octacyclo[13.11.1.12,10.03,8.04,25.019,27.021,26.014,28]octacosa-1(27),2(28),3,5,7,10,12,14,16,18,21,23,25-tridecaen-9-ylidene]cyclohexa-2,5-dien-1-one
Other name (1)：
  • 7,14-Bis(3,5-di-tert-butyl-4-oxo-2,5-cyclohexadienylidene)-7,14-dihydrophenanthro[1,10,9,8-opqra]perylene
Thsaurus map：
Thesaurus Map

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