triphenyl-[(E)-4-triphenylphosphaniumylbut-2-enyl]phosphanium
Formula:C40H36P2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
triphenyl-[(E)-4-triphenylphosphaniumylbut-2-enyl]phosphanium is not a drug-like molecule.
| MolName | triphenyl-[(E)-4-triphenylphosphaniumylbut-2-enyl]phosphanium |
| MolecularFormula | C40H36P2 |
| Smiles | C(/C=C/C[P+](c1ccccc1)(c1ccccc1)c1ccccc1)[P+](c1ccccc1)(c1ccccc1)c1ccccc1 |
| InChI | InChI=1S/C40H36P2/c1-7-21-35(22-8-1)41(36-23-9-2-10-24-36,37-25-11-3-12-26-37)33-19-20-34-42(38-27-13-4-14-28-38,39-29-15-5-16-30-39)40-31-17-6-18-32-40/h1-32H,33-34H2/q+2 |
| InChIK | UOISPEMFOAAJLR-UHFFFAOYSA-N |
| TotalMolweight | 578.674 |
| Molweight | 578.674 |
| MonoisotopicMass | 578.229224 |
| CLogP | 10.925 |
| CLogS | -10.758 |
| TotalSurfaceArea | 453.08 |
| Druglikeness | -13.922 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | phosphonium |
| Shape Index | 0.33333 |
| Fragments | 1 |
| Non HAtoms | 42 |
| NonCHAtoms | 2 |
| Electronegative Atoms | 2 |
| Rotatable Bond | 10 |
| Rings Closures | 6 |
| Small Rings | 6 |
| Aromatic Rings | 6 |
| Aromatic Atoms | 36 |
| Sp3Atoms | 4 |
| Symmetricatoms | 35 |
| StereoCon |
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