C39H41N5O2 | SBID = 2185 | Compound | Custom Molecule

Struc Structure

Download Image Download CDX

Molecular Properties

Interactions: 4
PubChem TPSA/Å2:
Ertl TPSA/Å2: 108.28
Hydrophilicity (PubChem XLogP):
Hydrophilicity (Cheng XLogP3): 5.4
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: C39H41N5O2
M / g/mol: 611.77514
Complexity:
Number of Conformers:

Identifiers

  • Tags:
  • Name: C39H41N5O2
  • Preferred Abbreviation: Naphthalene-receptor 1
  • IUPAC Name:
  • CAS: 1081976-86-4
  • CID: -965
  • InChiKey: SNBUCEDFMCRLKT-UHFFFAOYSA-N
  • InChi: InChI=1S/C39H41N5O2/c40-37(39(46)44-22-20-42-26-36-33-15-7-3-11-29(33)24-30-12-4-8-16-34(30)36)17-18-38(45)43-21-19-41-25-35-31-13-5-1-9-27(31)23-28-10-2-6-14-32(28)35/h1-16,23-24,37,41-42H,17-22,25-26,40H2,(H,43,45)(H,44,46)
  • CanoSmiles: O=C(CCC(C(=O)NCCNCc1c2ccccc2cc2c1cccc2)N)NCCNCc1c2ccccc2cc2c1cccc2
  • IsoSmiles: O=C(C(CCC(NCCNCC1=C(C=CC=C2)C2=CC3=C1C=CC=C3)=O)N)NCCNCC4=C(C=CC=C5)C5=CC6=C4C=CC=C6