Cyclobis(paraquat-1,4-phenylene) tetrakis(hexafluorophosphate) | SBID = 369 | Compound |
Structure
Molecular Properties
| Interactions: | 6 | ||
| PubChem TPSA/Å2: | 15.5 | ||
| Ertl TPSA/Å2: | |||
| Hydrophilicity (PubChem XLogP): | |||
| Hydrophilicity (Cheng XLogP3): | |||
| Charge: | 0.0 | ||
| Number of H-Bond Donors: | 0.0 | ||
| Number of H-Bond Acceptors: | 28.0 | ||
| Number of Stereogenic Bonds (E/Z): | 0.0 | ||
| Number of Stereogenic Atoms (R/S): | 0.0 | ||
| 3D Volume/Å3: | |||
| Sum Formula: | C36H32F24N4P4 | ||
| M / g/mol: | 1100.537 | ||
| Complexity: | 674.0 | ||
| Number of Conformers: | 0.0 |
Identifiers
- Tags: aromatic, typical host, charged
- Name: Cyclobis(paraquat-1,4-phenylene) tetrakis(hexafluorophosphate)
- Preferred Abbreviation: Cyclobis(paraquat-1,4-phenylene) tetrakis(hexafluorophosphate)
- IUPAC Name: 5,12,19,26-tetrazoniaheptacyclo[24.2.2.22,5.27,10.212,15.216,19.221,24]tetraconta-1(29),2(40),3,5(39),7,9,12,14,16(34),17,19(33),21(32),22,24(31),26(30),27,35,37-octadecaene;tetrahexafluorophosphate
- CAS: 117271-77-9
- CID: 11040455
- InChiKey: ORRBEFRZPYDCAJ-UHFFFAOYSA-N
- InChi: InChI=1S/C36H32N4.4F6P/c1-2-30-4-3-29(1)25-37-17-9-33(10-18-37)35-13-21-39(22-14-35)27-31-5-7-32(8-6-31)28-40-23-15-36(16-24-40)34-11-19-38(26-30)20-12-34;4*1-7(2,3,4,5)6/h1-24H,25-28H2;;;;/q+4;4*-1
- CanoSmiles: C1C2=CC=C(C[N+]3=CC=C(C=C3)C4=CC=[N+](CC5=CC=C(C[N+]6=CC=C(C=C6)C7=CC=[N+]1C=C7)C=C5)C=C4)C=C2.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F
- IsoSmiles: C1C2=CC=C(C[N+]3=CC=C(C=C3)C4=CC=[N+](CC5=CC=C(C[N+]6=CC=C(C=C6)C7=CC=[N+]1C=C7)C=C5)C=C4)C=C2.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F
