N,N'-(4,4'-(Ethane-1,2-diylbis(oxy))bis(4,1-phenylene))bis(methylene)bis(1- phenylmethan-aminium)hexafluorophosphate (V) | SBID = 2689 | Compound | Custom Molecule

Struc Structure

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Molecular Properties

Interactions: 3
PubChem TPSA/Å2:
Ertl TPSA/Å2: 51.68
Hydrophilicity (PubChem XLogP):
Hydrophilicity (Cheng XLogP3): 11.82
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: C29H32F12N2O2P2
M / g/mol: 730.5049404
Complexity:
Number of Conformers:

Identifiers

  • Tags:
  • Name: N,N'-(4,4'-(Ethane-1,2-diylbis(oxy))bis(4,1-phenylene))bis(methylene)bis(1- phenylmethan-aminium)hexafluorophosphate (V)
  • Preferred Abbreviation: Diammonium salt
  • IUPAC Name:
  • CAS:
  • CID: -1199
  • InChiKey: OYWPKUPXJAICRV-UHFFFAOYSA-P
  • InChi: InChI=1S/C29H30N2O2.2F6P/c1-3-9-24(10-4-1)19-30-21-26-13-7-15-28(17-26)32-23-33-29-16-8-14-27(18-29)22-31-20-25-11-5-2-6-12-25;2*1-7(2,3,4,5)6/h1-18,30-31H,19-23H2;;/q;2*-1/p+2
  • CanoSmiles: c1ccc(cc1)C[NH2+]Cc1cccc(c1)OCOc1cccc(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(OCCOC3=CC=CC(C[NH2+]CC4=CC=CC=C4)=C3)=C2)=CC=CC=C1