N,N'-(4,4'-(Pentane-1,4-diylbis(oxy))bis(4,1-phenylene))bis(methylene)bis(1-phenylmethanaminium)hexafluorophosphate(V) | SBID = 2692 | 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): 12.79
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: C33H40F12N2O2P2
M / g/mol: 786.6112604
Complexity:
Number of Conformers:

Identifiers

  • Tags:
  • Name: N,N'-(4,4'-(Pentane-1,4-diylbis(oxy))bis(4,1-phenylene))bis(methylene)bis(1-phenylmethanaminium)hexafluorophosphate(V)
  • Preferred Abbreviation: Diammonium salt d
  • IUPAC Name:
  • CAS:
  • CID: -1202
  • InChiKey: DYXVACSDJLQFPE-UHFFFAOYSA-P
  • InChi: InChI=1S/C33H38N2O2.2F6P/c1-4-12-28(13-5-1)24-34-26-30-16-10-18-32(22-30)36-20-8-3-9-21-37-33-19-11-17-31(23-33)27-35-25-29-14-6-2-7-15-29;2*1-7(2,3,4,5)6/h1-2,4-7,10-19,22-23,34-35H,3,8-9,20-21,24-27H2;;/q;2*-1/p+2
  • CanoSmiles: C(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(OCCCCCOC3=CC=CC(C[NH2+]CC4=CC=CC=C4)=C3)=C2)=CC=CC=C1