C41H45N5O2 | SBID = 2187 | Compound | Custom Molecule

Struc Structure

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Molecular Properties

Interactions: 1
PubChem TPSA/Å2:
Ertl TPSA/Å2: 108.28
Hydrophilicity (PubChem XLogP):
Hydrophilicity (Cheng XLogP3): 6.83
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: C43H49N5O2
M / g/mol: 667.88146
Complexity:
Number of Conformers:

Identifiers

  • Tags:
  • Name: C41H45N5O2
  • Preferred Abbreviation: Naphthalene-receptor 2
  • IUPAC Name:
  • CAS:
  • CID: -966
  • InChiKey: XZKQEBWKSNZZIH-UHFFFAOYSA-N
  • InChi: InChI=1S/C43H49N5O2/c44-41(43(50)48-26-12-10-24-46-30-40-37-19-7-3-15-33(37)28-34-16-4-8-20-38(34)40)21-22-42(49)47-25-11-9-23-45-29-39-35-17-5-1-13-31(35)27-32-14-2-6-18-36(32)39/h1-8,13-20,27-28,41,45-46H,9-12,21-26,29-30,44H2,(H,47,49)(H,48,50)
  • CanoSmiles: O=C(CCC(C(=O)NCCCCNCc1c2ccccc2cc2c1cccc2)N)NCCCCNCc1c2ccccc2cc2c1cccc2
  • IsoSmiles: O=C(NCCCCNCC1=C2C=CC=CC2=CC3=C1C=CC=C3)C(N)CCC(NCCCCNCC4=C5C=CC=CC5=CC6=C4C=CC=C6)=O