Chem
J-GLOBAL ID：201407046464693912   Nikkaji number：J3.317.212E

4,4′-(17,17-Dipentyl-17H-tetrabenzo[a,c,g,i]fluorene-3,14-diyl)di(benzoic acid methyl) ester

4,4′-(17,17-ジペンチル-17H-テトラベンゾ[a,c,g,i]フルオレン-3,14-ジイル)二(安息香酸メチル)
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： C55H50O4
Molecular formula furigana： C55-H50-O4
Molecular weight： 775.001
InChI： InChI=1S/C55H50O4/c1-5-7-13-31-55(32-14-8-6-2)51-45-29-27-39(35-19-23-37(24-20-35)53(56)58-3)33-47(45)41-15-9-11-17-43(41)49(51)50-44-18-12-10-16-42(44)48-34-40(28-30-46(48)52(50)55)36-21-25-38(26-22-36)54(57)59-4/h9-12,15-30,33-34H,5-8,13-14,31-32H2,1-4H3
InChI key： RMOCBXPGMKBKOQ-UHFFFAOYSA-N
SMILES： CCCCCC1(CCCCC)c2c(c3c1c1ccc(cc1c1ccccc31)c1ccc(cc1)C(=O)OC)c1ccccc1c1cc(ccc21)c1ccc(cc1)C(=O)OC
Systematic name  (4)：
  • 4,4′-[10,10′-(ウンデカン-6,6-ジイル)-9,9′-ビフェナントレン-3,3′-ジイル]ビス(安息香酸メチル)
  • 4,4′-(17,17-ジペンチル-17H-テトラベンゾ[a,c,g,i]フルオレン-3,14-ジイル)二(安息香酸メチル)
  • メチル 4-{21-[4-(メトキシカルボニル)フェニル]-16,16-ジペンチルヘプタシクロ[15.12.0.02,15.03,8.09,14.018,23.024,29]ノナコサ-1(17),2(15),3,5,7,9,11,13,18,20,22,24,26,28-テトラデカエン-11-イル}ベンゾアート
  • methyl 4-{21-[4-(methoxycarbonyl)phenyl]-16,16-dipentylheptacyclo[15.12.0.02,15.03,8.09,14.018,23.024,29]nonacosa-1(17),2(15),3,5,7,9,11,13,18,20,22,24,26,28-tetradecaen-11-yl}benzoate
Other name (2)：
  • 4,4′-[10,10′-(Undecane-6,6-diyl)-9,9′-biphenanthrene-3,3′-diyl]bis(benzoic acid methyl) ester
  • 4,4′-(17,17-Dipentyl-17H-tetrabenzo[a,c,g,i]fluorene-3,14-diyl)di(benzoic acid methyl) ester
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