Napthalene-copper complex 1 | SBID = 2188 | Compound | Custom Molecule

Struc Structure

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Molecular Properties

Interactions: 10
PubChem TPSA/Å2:
Ertl TPSA/Å2: 58.2
Hydrophilicity (PubChem XLogP):
Hydrophilicity (Cheng XLogP3): 8.64
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: C42H49CuN5O2
M / g/mol: 719.41676
Complexity:
Number of Conformers:

Identifiers

  • Tags:
  • Name: Napthalene-copper complex 1
  • Preferred Abbreviation: Naph-Cu2+ 1
  • IUPAC Name:
  • CAS:
  • CID: -967
  • InChiKey: BXZFCPVEMVIIHD-UHFFFAOYSA-N
  • InChi: InChI=1S/C39H41N5O2.C3H8.Cu/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;1-3-2;/h1-16,23-24,37,41-42H,17-22,25-26,40H2,(H,43,45)(H,44,46);3H2,1-2H3;
  • CanoSmiles: O=C1NCC[NH](Cc2c3ccccc3cc3c2cccc3)[Cu]2[NH2][C@H](CC1)C(=O)NCC[NH]2Cc1c2ccccc2cc2c1cccc2.CCC
  • IsoSmiles: O=C([C@@]1([H])CCC(NCC[N@]2([H])CC3=C(C=CC=C4)C4=CC5=C3C=CC=C5)=O)NCC[N@@]([Cu]2[N]1([H])[H])([H])CC6=C(C=CC=C7)C7=CC8=C6C=CC=C8.CCC