N,N'-(4,4'-(2,2'-Oxybis(ethane-2,1-diyl)bis(oxy))bis(4,1-phenylene))bis(methylene)bis(1- phenylmethanaminium)hexafluorophosphate(V) | SBID = 2693 | Compound | Custom Molecule

Struc Structure

Download Image

Molecular Properties

Interactions: 1
PubChem TPSA/Å2:
Ertl TPSA/Å2: 60.91
Hydrophilicity (PubChem XLogP):
Hydrophilicity (Cheng XLogP3): 11.57
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: C32H38F12N2O3P2
M / g/mol: 788.5840804
Complexity:
Number of Conformers:

Identifiers

  • Tags:
  • Name: N,N'-(4,4'-(2,2'-Oxybis(ethane-2,1-diyl)bis(oxy))bis(4,1-phenylene))bis(methylene)bis(1- phenylmethanaminium)hexafluorophosphate(V)
  • Preferred Abbreviation: Diammonium salt e
  • IUPAC Name:
  • CAS:
  • CID: -1203
  • InChiKey: YHDXVRKZRWVMBK-UHFFFAOYSA-P
  • InChi: InChI=1S/C32H36N2O3.2F6P/c1-3-9-27(10-4-1)23-33-25-29-13-7-15-31(21-29)36-19-17-35-18-20-37-32-16-8-14-30(22-32)26-34-24-28-11-5-2-6-12-28;2*1-7(2,3,4,5)6/h1-16,21-22,33-34H,17-20,23-26H2;;/q;2*-1/p+2
  • CanoSmiles: O(CCOc1cccc(c1)C[NH2+]Cc1ccccc1)CCOc1cccc(c1)C[NH2+]Cc1ccccc1.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F
  • IsoSmiles: F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.C1(C[NH2+]CC2=CC=CC(OCCOCCOC3=CC=CC(C[NH2+]CC4=CC=CC=C4)=C3)=C2)=CC=CC=C1