RPV | SBID = 1595 | Compound | Custom Molecule

Struc Structure

Download Image

Molecular Properties

Interactions: 1
PubChem TPSA/Å2:
Ertl TPSA/Å2:
Hydrophilicity (PubChem XLogP):
Hydrophilicity (Cheng XLogP3):
Charge: 2.0
Number of H-Bond Donors: 0.0
Number of H-Bond Acceptors: 9.0
Number of Stereogenic Bonds (E/Z):
Number of Stereogenic Atoms (R/S):
3D Volume/Å3:
Sum Formula: C51H66N8ORu++
M / g/mol: 908.19274
Complexity:
Number of Conformers:

Identifiers

  • Tags:
  • Name: RPV
  • Preferred Abbreviation: RPV
  • IUPAC Name:
  • CAS:
  • CID: -635
  • InChiKey: NNRLUDFFQBCQSY-UHFFFAOYSA-N
  • InChi: InChI=1S/C25H26N4O.2C10H8N2.6CH4.Ru/c1-28-15-9-21(10-16-28)22-11-17-29(18-12-22)14-4-5-19-30-23-7-8-25(27-20-23)24-6-2-3-13-26-24;2*1-3-7-11-9(5-1)10-6-2-4-8-12-10;;;;;;;/h2-3,6-13,15-18,20H,4-5,14,19H2,1H3;2*1-8H;6*1H4;/q;;;;;;;;;+2
  • CanoSmiles: C.C.C.C.C.C.[Ru+2].C[N]1=CC=C(C=C1)C2=CC=[N](CCCCOc3ccc(nc3)c4ccccn4)C=C2.c5ccc(nc5)c6ccccn6.c7ccc(nc7)c8ccccn8
  • IsoSmiles: C.C.C.C.C.C.[Ru+2].C[N]1=CC=C(C=C1)C2=CC=[N](CCCCOc3ccc(nc3)c4ccccn4)C=C2.c5ccc(nc5)c6ccccn6.c7ccc(nc7)c8ccccn8