Chem
J-GLOBAL ID:200907038284798667   Nikkaji number:J2.224.004H

2,5-Didocosyl-11,14-bis[4-[(S)-2-[2-(2-methoxyethoxy)ethoxy]propoxy]phenyl]hexabenzo[bc,ef,hi,kl,no,qr]coronene

2,5-ジドコシル-11,14-ビス[4-[(S)-2-[2-(2-メトキシエトキシ)エトキシ]プロポキシ]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: C114H146O8
Molecular formula furigana: C114-H146-O8
Molecular weight: 1644.414
InChI: InChI=1S/C114H146O8/c1-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-39-41-43-45-49-83-71-95-91-51-47-53-93-99-75-87(85-55-59-89(60-56-85)121-79-81(3)119-69-67-117-65-63-115-5)77-101-102-78-88(86-57-61-90(62-58-86)122-80-82(4)120-70-68-118-66-64-116-6)76-100-94-54-48-52-92-96-72-84(50-46-44-42-40-38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-2)74-98-97(73-83)105(95)111-109(103(91)93)113(107(99)101)114(108(100)102)110(104(92)94)112(111)106(96)98/h47-48,51-62,71-78,81-82H,7-46,49-50,63-70,79-80H2,1-6H3/t81-,82-/m0/s1
InChI key: FBYLZRPPTIMBRB-ODWJXCKLSA-N
SMILES: CCCCCCCCCCCCCCCCCCCCCCc1cc2c3cccc4c5cc(cc6c7cc(cc8c9cccc%10c%11cc(CCCCCCCCCCCCCCCCCCCCCC)cc%12c(c1)c2c1c(c34)c(c56)c(c78)c(c9%10)c1c%11%12)c1ccc(OC[C@H](C)OCCOCCOC)cc1)c1ccc(OC[C@H](C)OCCOCCOC)cc1
Systematic name  (3):
  • 2,5-ジドコシル-11,14-ビス[4-[(S)-2-[2-(2-メトキシエトキシ)エトキシ]プロポキシ]フェニル]ヘキサベンゾ[bc,ef,hi,kl,no,qr]コロネン
  • 25,34-ジドコシル-6,11-ビス({4-[(2S)-2-[2-(2-メトキシエトキシ)エトキシ]プロポキシ]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
  • 25,34-didocosyl-6,11-bis({4-[(2S)-2-[2-(2-methoxyethoxy)ethoxy]propoxy]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 (1):
  • 2,5-Didocosyl-11,14-bis[4-[(S)-2-[2-(2-methoxyethoxy)ethoxy]propoxy]phenyl]hexabenzo[bc,ef,hi,kl,no,qr]coronene
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