Bis[quinoxaline-2,3-diylbis[oxy(3,6-dioxaoctane-1,8-diyl)oxy]]-9,10-dipropylanthracene and on dibenzylammonium | SBID = 756 | Compound | Custom Molecule

Struc Structure

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Molecular Properties

Interactions: 1
PubChem TPSA/Å2:
Ertl TPSA/Å2:
Hydrophilicity (PubChem XLogP):
Hydrophilicity (Cheng XLogP3):
Charge: 1.0
Number of H-Bond Donors: 2.0
Number of H-Bond Acceptors: 20.0
Number of Stereogenic Bonds (E/Z):
Number of Stereogenic Atoms (R/S):
3D Volume/Å3:
Sum Formula: C74H90N5O16+
M / g/mol: 1305.5303
Complexity:
Number of Conformers:

Identifiers

  • Tags:
  • Name: Bis[quinoxaline-2,3-diylbis[oxy(3,6-dioxaoctane-1,8-diyl)oxy]]-9,10-dipropylanthracene and on dibenzylammonium
  • Preferred Abbreviation:
  • IUPAC Name:
  • CAS:
  • CID: -219
  • InChiKey: BDERFJXXVAMFSI-UHFFFAOYSA-O
  • InChi: InChI=1S/C60H74N4O16.C14H15N/c1-3-9-43-45-39-53-55(75-33-25-67-17-21-71-29-37-79-59-57(61-49-11-5-7-13-51(49)63-59)77-35-27-69-19-15-65-23-31-73-53)41-47(45)44(10-4-2)48-42-56-54(40-46(43)48)74-32-24-66-16-20-70-28-36-78-58-60(64-52-14-8-6-12-50(52)62-58)80-38-30-72-22-18-68-26-34-76-56;1-3-7-13(8-4-1)11-15-12-14-9-5-2-6-10-14/h5-8,11-14,39-42H,3-4,9-10,15-38H2,1-2H3;1-10,15H,11-12H2/p+1
  • CanoSmiles: [NH2+](Cc1ccccc1)Cc1ccccc1.CCCc1c2cc3OCCOCCOCCOc4nc5ccccc5nc4OCCOCCOCCOc3cc2c(c2c1cc1OCCOCCOCCOc3nc4ccccc4nc3OCCOCCOCCOc1c2)CCC
  • IsoSmiles: CCCC1=C2C(C=C3OCCOCCOCCOC(N=C(C=CC=C4)C4=N5)=C5OCCOCCOCCOC3=C2)=C(CCC)C6=C1C=C7OCCOCCOCCOC(N=C(C=CC=C8)C8=N9)=C9OCCOCCOCCOC7=C6.C%10(C[NH2+]CC%11=CC=CC=C%11)=CC=CC=C%10