Hexafluorenium
PubChem CID: 3601
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| Compound Synonyms | Hexafluronium, hexafluorenium, Hexafluorenium ion, Hexafluorenium cation, 4844-10-4, 1,6-Hexanediaminium, N,N'-di-9H-fluoren-9-yl-N,N,N',N'-tetramethyl-, HEXAFLUORENIUM [VANDF], UNII-55W5L6G81R, HEXAFLURONIUM [WHO-DD], HSDB 3230, DTXSID00859333, 55W5L6G81R, Hexamethylenebis(fluoren-9-yldimethylammonium), Ammonium, hexamethylenebis(fluoren-9-yldimethyl-, 1,6-Hexanediaminium,N,N'-di-9H-fluoren-9-yl-N,N,N',N'-tetramethyl, NCGC00182971-01, N-(6-((9H-fluoren-9-yl)dimethylazaniumyl)hexyl)-N,N-dimethyl-9H-fluoren-9-aminium, N-{6-[(9H-fluoren-9-yl)dimethylazaniumyl]hexyl}-N,N-dimethyl-9H-fluoren-9-aminium, SCHEMBL487495, CHEMBL1201349, DTXCID20197284, CHEBI:135804, DB00941, 9H-fluoren-9-yl-[6-[9H-fluoren-9-yl(dimethyl)azaniumyl]hexyl]-dimethylazanium, NS00068673, Ammonium, Hexamethylenebis(fluoren-9-yldimethyl)-, N1,N6-di(9H-fluoren-9-yl)-N1,N1,N6,N6-tetramethylhexane-1,6-diaminium |
|---|---|
| Topological Polar Surface Area | 0.0 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 38.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 663.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 9H-fluoren-9-yl-[6-[9H-fluoren-9-yl(dimethyl)azaniumyl]hexyl]-dimethylazanium |
| Nih Violation | True |
| Prediction Hob | 0.0 |
| Xlogp | 7.6 |
| Is Pains | False |
| Molecular Formula | C36H42N2+2 |
| Prediction Swissadme | 0.0 |
| Inchi Key | HDZAQYPYABGTCL-UHFFFAOYSA-N |
| Fcsp3 | 0.3333333333333333 |
| Rotatable Bond Count | 9.0 |
| Compound Name | Hexafluorenium |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 502.335 |
| Formal Charge | 2.0 |
| Brenk Violation | True |
| Monoisotopic Mass | 502.335 |
| Hydrogen Bond Acceptor Count | 0.0 |
| Molecular Weight | 502.7 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -7.586893621052632 |
| Inchi | InChI=1S/C36H42N2/c1-37(2,35-31-21-11-7-17-27(31)28-18-8-12-22-32(28)35)25-15-5-6-16-26-38(3,4)36-33-23-13-9-19-29(33)30-20-10-14-24-34(30)36/h7-14,17-24,35-36H,5-6,15-16,25-26H2,1-4H3/q+2 |
| Smiles | C[N+](C)(CCCCCC[N+](C)(C)C1C2=CC=CC=C2C3=CC=CC=C13)C4C5=CC=CC=C5C6=CC=CC=C46 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Smilax China (Plant) Rel Props:Source_db:cmaup_ingredients