syn amine naphthotube | SBID = 2533 | Compound | Custom Molecule

Struc Structure

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Molecular Properties

Interactions: 23
PubChem TPSA/Å2:
Ertl TPSA/Å2: 0.0
Hydrophilicity (PubChem XLogP):
Hydrophilicity (Cheng XLogP3): 0.0
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: C70H70N18O8
M / g/mol: 1291.45
Complexity:
Number of Conformers:

Identifiers

  • Tags: typical host
  • Name: syn amine naphthotube
  • Preferred Abbreviation: syn amine naphthotube
  • IUPAC Name:
  • CAS:
  • CID: -1105
  • InChiKey:
  • InChi:
  • CanoSmiles:
  • IsoSmiles: NCCN1C=C(N=N1)COC(C=C2)=C(CNCC3=C(OCC(N=N4)=CN4CCN)C=CC5=C3C=C6)C7=C2C8=C(C=C7)OC9CC8C%10=C(O9)C=CC%11=C%10C=CC(OCC(N=N%12)=CN%12CCN)=C%11CNCC%13=C(OCC(N=N%14)=CN%14CCN)C=CC%15=C%13C=CC(O%16)=C%15C%17C5=C6OC%16C%17