Anthracene Bis-24-Crown-8 | SBID = 2688 | Compound | Custom Molecule

Struc Structure

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Molecular Properties

Interactions: 8
PubChem TPSA/Å2:
Ertl TPSA/Å2: 199.24
Hydrophilicity (PubChem XLogP):
Hydrophilicity (Cheng XLogP3): 8.49
Charge: 0.0
Number of H-Bond Donors: 0.0
Number of H-Bond Acceptors: 0.0
Number of Stereogenic Bonds (E/Z):
Number of Stereogenic Atoms (R/S):
3D Volume/Å3:
Sum Formula: C62H82N4O16
M / g/mol: 1139.33168
Complexity:
Number of Conformers:

Identifiers

  • Tags:
  • Name: Anthracene Bis-24-Crown-8
  • Preferred Abbreviation: 24-crown-8 dimer
  • IUPAC Name:
  • CAS:
  • CID: -1198
  • InChiKey: JLYSAAVCVJHJIK-UHFFFAOYSA-N
  • InChi: InChI=1S/C62H82N4O16/c1-5-13-48-47(7-3)50(15-12-20-68-23-24-70-26-28-74-36-42-80-60-59(63-53-16-8-9-17-54(53)64-60)79-41-35-73-27-25-69-22-21-67-4)49(14-6-2)52-46-58-57(45-51(48)52)77-39-33-71-29-31-75-37-43-81-61-62(66-56-19-11-10-18-55(56)65-61)82-44-38-76-32-30-72-34-40-78-58/h7-12,15-19,45-46H,3,5-6,13-14,20-44H2,1-2,4H3
  • CanoSmiles: CCCc1c(/C=C\COCCOCCOCCOc2nc3ccccc3nc2OCCOCCOCCOC)c(C=C)c(c2c1cc1OCCOCCOCCOc3nc4ccccc4nc3OCCOCCOCCOc1c2)CCC
  • IsoSmiles: C=CC1=C(CCC)C2=CC3=C(C=C2C(CCC)=C1/C=C\COCCOCCOCCOC4=C(N=C(C=CC=C5)C5=N4)OCCOCCOCCOC)OCCOCCOCCOC6=C(N=C(C=CC=C7)C7=N6)OCCOCCOCCO3