6,6,19,19-tetramethyl-12,13,25,26-tetraoxo-2,6,10,15,19,23-hexaazatricyclo[22.2.0.011,14]hexacosa-1(24),11(14)-diene-6,19-diium | SBID = 268 | Compound | Custom Molecule

Struc Structure

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Molecular Properties

Interactions: 4
PubChem TPSA/Å2:
Ertl TPSA/Å2:
Hydrophilicity (PubChem XLogP):
Hydrophilicity (Cheng XLogP3):
Charge: 2.0
Number of H-Bond Donors:
Number of H-Bond Acceptors:
Number of Stereogenic Bonds (E/Z):
Number of Stereogenic Atoms (R/S):
3D Volume/Å3:
Sum Formula: C24H40N6O42+
M / g/mol: 476.62
Complexity:
Number of Conformers:

Identifiers

  • Tags: typical guest, charged
  • Name: 6,6,19,19-tetramethyl-12,13,25,26-tetraoxo-2,6,10,15,19,23-hexaazatricyclo[22.2.0.011,14]hexacosa-1(24),11(14)-diene-6,19-diium
  • Preferred Abbreviation: 6,6,19,19-tetramethyl-12,13,25,26-tetraoxo-2,6,10,15,19,23-hexaazatricyclo[22.2.0.011,14]hexacosa-1(24),11(14)-diene-6,19-diium
  • IUPAC Name: 6,6,19,19-tetramethyl-12,13,25,26-tetraoxo-2,6,10,15,19,23-hexaazatricyclo[22.2.0.011,14]hexacosa-1(24),11(14)-diene-6,19-diium
  • CAS:
  • CID: -42
  • InChiKey: QQSZKEIOXIITHZ-UHFFFAOYSA-P
  • InChi: InChI=1S/C24H38N6O4/c1-29(2)13-5-9-25-17-19(23(33)21(17)31)27-11-7-15-30(3,4)16-8-12-28-20-18(22(32)24(20)34)26-10-6-14-29/h5-16H2,1-4H3,(H2-2,25,26,27,28,31,32,33,34)/p+2
  • CanoSmiles: C[N+](CCCNC1=C(C(C1=O)=O)NCCC[N+](C)(C)CCCN2)(C)CCCNC(C3=O)=C2C3=O
  • IsoSmiles: O=C(C1=C2NCCC[N+](C)(C)CCCNC3=C(C(C3=O)=O)NCCC[N+](C)(C)CCCN1)C2=O