N,N'-(4,4'-(Butane-1,4-diylbis(oxy))bis(4,1-phenylene))bis(methylene)bis(1- phenylmethanaminium)hexafluorophosphate(V) | SBID = 2691 | 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): 12.43
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: C32H38F12N2O2P2
M / g/mol: 772.5846804
Complexity:
Number of Conformers:

Identifiers

  • Tags:
  • Name: N,N'-(4,4'-(Butane-1,4-diylbis(oxy))bis(4,1-phenylene))bis(methylene)bis(1- phenylmethanaminium)hexafluorophosphate(V)
  • Preferred Abbreviation: Diammonium salt c
  • IUPAC Name:
  • CAS:
  • CID: -1201
  • InChiKey: HGRWTLDIWGPVNA-UHFFFAOYSA-P
  • InChi: InChI=1S/C32H36N2O2.2F6P/c1-3-11-27(12-4-1)23-33-25-29-15-9-17-31(21-29)35-19-7-8-20-36-32-18-10-16-30(22-32)26-34-24-28-13-5-2-6-14-28;2*1-7(2,3,4,5)6/h1-6,9-18,21-22,33-34H,7-8,19-20,23-26H2;;/q;2*-1/p+2
  • CanoSmiles: C(COc1cccc(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(OCCCCOC3=CC=CC(C[NH2+]CC4=CC=CC=C4)=C3)=C2)=CC=CC=C1