N,N'-(((((ethane-1,2-diylbis(oxy))bis(ethane-2,1-diyl))bis(oxy))bis(4,1-phenylene))bis(methylene))bis(1-phenylmethanaminium) hexafluorophosphate(V) | SBID = 2694 | Compound | Custom Molecule

Struc Structure

Download Image Download CDX

Molecular Properties

Interactions: 1
PubChem TPSA/Å2:
Ertl TPSA/Å2: 70.14
Hydrophilicity (PubChem XLogP):
Hydrophilicity (Cheng XLogP3): 11.42
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: C34H42F12N2O4P2
M / g/mol: 832.6366404
Complexity:
Number of Conformers:

Identifiers

  • Tags:
  • Name: N,N'-(((((ethane-1,2-diylbis(oxy))bis(ethane-2,1-diyl))bis(oxy))bis(4,1-phenylene))bis(methylene))bis(1-phenylmethanaminium) hexafluorophosphate(V)
  • Preferred Abbreviation: Diammonium salt f
  • IUPAC Name:
  • CAS:
  • CID: -1204
  • InChiKey: SAPMSWNGBBSIDX-UHFFFAOYSA-P
  • InChi: InChI=1S/C34H40N2O4.2F6P/c1-3-7-29(8-4-1)25-35-27-31-11-15-33(16-12-31)39-23-21-37-19-20-38-22-24-40-34-17-13-32(14-18-34)28-36-26-30-9-5-2-6-10-30;2*1-7(2,3,4,5)6/h1-18,35-36H,19-28H2;;/q;2*-1/p+2
  • CanoSmiles: O(CCOc1ccc(cc1)C[NH2+]Cc1ccccc1)CCOCCOc1ccc(cc1)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=C(OCCOCCOCCOC3=CC=C(C[NH2+]CC4=CC=CC=C4)C=C3)C=C2)=CC=CC=C1