Chem
J-GLOBAL ID：200907065173197211   Nikkaji number：J2.200.519G

11,14-Bis[(S)-3,7-dimethyloctyl]-2,5-bis[4-(1,4,7,10-tetraoxaundecane-1-yl)phenyl]hexabenzo[bc,ef,hi,kl,no,qr]coronene

11,14-ビス[(S)-3,7-ジメチルオクチル]-2,5-ビス[4-(1,4,7,10-テトラオキサウンデカン-1-イル)フェニル]ヘキサベンゾ[bc,ef,hi,kl,no,qr]コロネン
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： C88H94O8
Molecular formula furigana： C88-H94-O8
Molecular weight： 1279.712
InChI： InChI=1S/C88H94O8/c1-53(2)13-9-15-55(5)21-23-57-45-69-65-17-11-19-67-73-49-61(59-25-29-63(30-26-59)95-43-41-93-39-37-91-35-33-89-7)51-75-76-52-62(60-27-31-64(32-28-60)96-44-42-94-40-38-92-36-34-90-8)50-74-68-20-12-18-66-70-46-58(24-22-56(6)16-10-14-54(3)4)48-72-71(47-57)79(69)85-83(77(65)67)87(81(73)75)88(82(74)76)84(78(66)68)86(85)80(70)72/h11-12,17-20,25-32,45-56H,9-10,13-16,21-24,33-44H2,1-8H3/t55-,56-/m0/s1
InChI key： JAWLCDJUCDIXTL-ATMVKLMESA-N
SMILES： COCCOCCOCCOc1ccc(cc1)c1cc2c3cccc4c5cc(CC[C@@H](C)CCCC(C)C)cc6c7cc(CC[C@@H](C)CCCC(C)C)cc8c9cccc%10c%11cc(cc%12c(c1)c2c1c(c34)c(c56)c(c78)c(c9%10)c1c%11%12)c1ccc(OCCOCCOCCOC)cc1
Systematic name  (5)：
  • 2,17-ビス[4-[2-[2-(2-メトキシエトキシ)エトキシ]エトキシ]フェニル]-8,11-ビス[(S)-3,7-ジメチルオクチル]ヘキサベンゾ[bc,ef,hi,kl,no,qr]コロネン
  • 2,5-ビス[(S)-3,7-ジメチルオクチル]-11,14-ビス[4-[2-[2-(2-メトキシエトキシ)エトキシ]エトキシ]フェニル]ヘキサベンゾ[bc,ef,hi,kl,no,qr]コロネン
  • 11,14-ビス[(S)-3,7-ジメチルオクチル]-2,5-ビス[4-(1,4,7,10-テトラオキサウンデカン-1-イル)フェニル]ヘキサベンゾ[bc,ef,hi,kl,no,qr]コロネン
  • 6,11-ビス[(3S)-3,7-ジメチルオクチル]-25,34-ビス(4-{2-[2-(2-メトキシエトキシ)エトキシ]エトキシ}フェニル)トリデカシクロ[28.12.0.02,15.03,8.04,41.09,14.013,18.016,29.017,22.023,28.027,32.031,36.037,42]ドテトラコンタ-1(42),2,4,6,8,10,12,14,16,18,20,22,24,26,28,30,32,34,36,38,40-ヘンイコサエン
  • 6,11-bis[(3S)-3,7-dimethyloctyl]-25,34-bis(4-{2-[2-(2-methoxyethoxy)ethoxy]ethoxy}phenyl)tridecacyclo[28.12.0.02,15.03,8.04,41.09,14.013,18.016,29.017,22.023,28.027,32.031,36.037,42]dotetraconta-1(42),2,4,6,8,10,12,14,16,18,20,22,24,26,28,30,32,34,36,38,40-henicosaene
Other name (3)：
  • 2,17-Bis[4-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]phenyl]-8,11-bis[(S)-3,7-dimethyloctyl]hexabenzo[bc,ef,hi,kl,no,qr]coronene
  • 2,5-Bis[(S)-3,7-dimethyloctyl]-11,14-bis[4-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]phenyl]hexabenzo[bc,ef,hi,kl,no,qr]coronene
  • 11,14-Bis[(S)-3,7-dimethyloctyl]-2,5-bis[4-(1,4,7,10-tetraoxaundecane-1-yl)phenyl]hexabenzo[bc,ef,hi,kl,no,qr]coronene
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