N,N'-(4,4'-(Propane-1,3-diylbis(oxy))bis(4,1-phenylene))bis(methylene)bis(1- phenylmethanaminium) hexafluorophosphate(V) | SBID = 2690 | Compound | Custom Molecule

Struc Structure

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Molecular Properties

Interactions: 1
PubChem TPSA/Å2:
Ertl TPSA/Å2: 51.68
Hydrophilicity (PubChem XLogP):
Hydrophilicity (Cheng XLogP3): 12.08
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: C31H36F12N2O2P2
M / g/mol: 758.5581004
Complexity:
Number of Conformers:

Identifiers

  • Tags:
  • Name: N,N'-(4,4'-(Propane-1,3-diylbis(oxy))bis(4,1-phenylene))bis(methylene)bis(1- phenylmethanaminium) hexafluorophosphate(V)
  • Preferred Abbreviation: Diammonium salt b
  • IUPAC Name:
  • CAS:
  • CID: -1200
  • InChiKey: ZAFWKARDJWENIK-UHFFFAOYSA-P
  • InChi: InChI=1S/C31H34N2O2.2F6P/c1-3-10-26(11-4-1)22-32-24-28-14-7-16-30(20-28)34-18-9-19-35-31-17-8-15-29(21-31)25-33-23-27-12-5-2-6-13-27;2*1-7(2,3,4,5)6/h1-8,10-17,20-21,32-33H,9,18-19,22-25H2;;/q;2*-1/p+2
  • CanoSmiles: C(COc1cccc(c1)C[NH2+]Cc1ccccc1)COc1cccc(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(OCCCOC3=CC=CC(C[NH2+]CC4=CC=CC=C4)=C3)=C2)=CC=CC=C1