(6E,9E,16E,19E)-1,5,15(1,4),11(4,1)-tetrapyridin-1-iuma-3,8,13,18(1,4)-tetrabenzenacycloicosaphane-6,9,16,19-tetraene-11,51,111,151-tetraium | SBID = 2067 | Compound | Custom Molecule

Struc Structure

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Molecular Properties

Interactions: 3
PubChem TPSA/Å2:
Ertl TPSA/Å2:
Hydrophilicity (PubChem XLogP):
Hydrophilicity (Cheng XLogP3):
Charge: 4.0
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: C56H48N4++++
M / g/mol: 777.00712
Complexity:
Number of Conformers:

Identifiers

  • Tags: typical guest, charged
  • Name: (6E,9E,16E,19E)-1,5,15(1,4),11(4,1)-tetrapyridin-1-iuma-3,8,13,18(1,4)-tetrabenzenacycloicosaphane-6,9,16,19-tetraene-11,51,111,151-tetraium
  • Preferred Abbreviation: (6E,9E,16E,19E)-1,5,15(1,4),11(4,1)-tetrapyridin-1-iuma-3,8,13,18(1,4)-tetrabenzenacycloicosaphane-6,9,16,19-tetraene-11,51,111,151-tetraium
  • IUPAC Name:
  • CAS:
  • CID: -894
  • InChiKey: AHSSYYYWXDKBGW-UHFFFAOYSA-N
  • InChi: InChI=1S/C56H48N4/c1-2-46-4-3-45(1)9-13-49-25-33-57(34-26-49)41-53-17-19-55(20-18-53)43-59-37-29-51(30-38-59)15-11-47-5-7-48(8-6-47)12-16-52-31-39-60(40-32-52)44-56-23-21-54(22-24-56)42-58-35-27-50(14-10-46)28-36-58/h1-40H,41-44H2/q+4
  • CanoSmiles: c1c[n+]2ccc1/C=C/c1ccc(cc1)/C=C/c1cc[n+](cc1)Cc1ccc(cc1)C[n+]1ccc(/C=C/c3ccc(/C=C/c4cc[n+](Cc5ccc(C2)cc5)cc4)cc3)cc1
  • IsoSmiles: C1(/C=C/C2=CC=C(/C=C/C3=CC=[N+](C4)C=C3)C=C2)=CC=[N+](CC(C=C5)=CC=C5C[N+](C=C6)=CC=C6/C=C/C(C=C7)=CC=C7/C=C/C(C=C8)=CC=[N+]8CC9=CC=C4C=C9)C=C1