Chem
J-GLOBAL ID:200907016860735419   Nikkaji number:J2.620.194B

11,14-Bisdodecyl-2,5-bis[4-[9-azido-1,4,7-trioxanonane-1-yl]phenyl]hexabenzo[bc,ef,hi,kl,no,qr]coronene

2,5-ビス[4-[2-[2-(2-アジドエトキシ)エトキシ]エトキシ]フェニル]-11,14-ジドデシルヘキサベンゾ[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: C90H96N2[N-]2[N+]2O6
Molecular formula furigana: C90-H96-N6-O6
Molecular weight: 1357.794
InChI: InChI=1S/C90H96N6O6/c1-3-5-7-9-11-13-15-17-19-21-25-59-51-71-67-27-23-29-69-75-55-63(61-31-35-65(36-32-61)101-49-47-99-45-43-97-41-39-93-95-91)57-77-78-58-64(62-33-37-66(38-34-62)102-50-48-100-46-44-98-42-40-94-96-92)56-76-70-30-24-28-68-72-52-60(26-22-20-18-16-14-12-10-8-6-4-2)54-74-73(53-59)81(71)87-85(79(67)69)89(83(75)77)90(84(76)78)86(80(68)70)88(87)82(72)74/h23-24,27-38,51-58H,3-22,25-26,39-50H2,1-2H3
InChI key: CJTUWPLWYHHZIS-UHFFFAOYSA-N
SMILES: CCCCCCCCCCCCc1cc2c3cccc4c5cc(cc6c7cc(cc8c9cccc%10c%11cc(CCCCCCCCCCCC)cc%12c(c1)c2c1c(c34)c(c56)c(c78)c(c9%10)c1c%11%12)c1ccc(OCCOCCOCCN=[N+]=[N-])cc1)c1ccc(OCCOCCOCCN=[N+]=[N-])cc1
Systematic name  (4):
  • 2,5-ビス[4-[2-[2-(2-アジドエトキシ)エトキシ]エトキシ]フェニル]-11,14-ジドデシルヘキサベンゾ[bc,ef,hi,kl,no,qr]コロネン
  • 11,14-ビスドデシル-2,5-ビス[4-[9-アジド-1,4,7-トリオキサノナン-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(4-{2-[2-(2-アジドエトキシ)エトキシ]エトキシ}フェニル)-25,34-ジドデシルトリデカシクロ[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(4-{2-[2-(2-azidoethoxy)ethoxy]ethoxy}phenyl)-25,34-didodecyltridecacyclo[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 (2):
  • 2,5-Bis[4-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]phenyl]-11,14-didodecylhexabenzo[bc,ef,hi,kl,no,qr]coronene
  • 11,14-Bisdodecyl-2,5-bis[4-[9-azido-1,4,7-trioxanonane-1-yl]phenyl]hexabenzo[bc,ef,hi,kl,no,qr]coronene
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