1-benzyl-2,4-diphenyl-6-[(E)-2-pyridin-4-ylethenyl]pyridin-1-ium
Formula:C31H25N2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
1-benzyl-2,4-diphenyl-6-[(E)-2-pyridin-4-ylethenyl]pyridin-1-ium is a drug-like molecule.
| MolName | 1-benzyl-2,4-diphenyl-6-[(E)-2-pyridin-4-ylethenyl]pyridin-1-ium |
| MolecularFormula | C31H25N2 |
| Smiles | C(c1ccccc1)[n+](c(/C=C/c1ccncc1)cc(-c1ccccc1)c1)c1-c1ccccc1 |
| InChI | InChI=1S/C31H25N2/c1-4-10-26(11-5-1)24-33-30(17-16-25-18-20-32-21-19-25)22-29(27-12-6-2-7-13-27)23-31(33)28-14-8-3-9-15-28/h1-23H,24H2/q+1 |
| InChIK | WESFUVFQLIUJER-UHFFFAOYSA-N |
| TotalMolweight | 425.554 |
| Molweight | 425.554 |
| MonoisotopicMass | 425.201773 |
| CLogP | 2.7621 |
| CLogS | -6.503 |
| H Acceptors | 2 |
| TotalSurfaceArea | 348.62 |
| Relative PSA | 0.039384 |
| PolarSurfaceArea | 16.77 |
| Druglikeness | -1.8621 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.39394 |
| Fragments | 1 |
| Non HAtoms | 33 |
| NonCHAtoms | 2 |
| Electronegative Atoms | 2 |
| Rotatable Bond | 6 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 5 |
| Aromatic Atoms | 30 |
| Sp3Atoms | 1 |
| Symmetricatoms | 8 |
| Aromatic Nitrogens | 2 |
| StereoCon |
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1 - 1-benzyl-2,4-diphenyl-6-[(E)-2-pyridin-4-ylethenyl]pyridin-1-ium | 2 - 1-benzyl-2,4-diphenyl-6-[(E)-2-pyridin-4-ylethenyl]pyridin-1-ium
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