1-benzyl-2,4-diphenyl-6-[(E)-2-phenylethenyl]pyridin-1-ium
Formula:C32H26N
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
1-benzyl-2,4-diphenyl-6-[(E)-2-phenylethenyl]pyridin-1-ium is a drug-like molecule.
| MolName | 1-benzyl-2,4-diphenyl-6-[(E)-2-phenylethenyl]pyridin-1-ium |
| MolecularFormula | C32H26N |
| Smiles | C(c1ccccc1)[n+](c(/C=C/c1ccccc1)cc(-c1ccccc1)c1)c1-c1ccccc1 |
| InChI | InChI=1S/C32H26N/c1-5-13-26(14-6-1)21-22-31-23-30(28-17-9-3-10-18-28)24-32(29-19-11-4-12-20-29)33(31)25-27-15-7-2-8-16-27/h1-24H,25H2/q+1 |
| InChIK | NINMDHJGYCIPLN-UHFFFAOYSA-N |
| TotalMolweight | 424.565 |
| Molweight | 424.565 |
| MonoisotopicMass | 424.206524 |
| CLogP | 3.763 |
| CLogS | -7.298 |
| H Acceptors | 1 |
| TotalSurfaceArea | 349.86 |
| Relative PSA | 0.0078889 |
| PolarSurfaceArea | 3.88 |
| Druglikeness | -2.1683 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.39394 |
| Fragments | 1 |
| Non HAtoms | 33 |
| NonCHAtoms | 1 |
| Electronegative Atoms | 1 |
| Rotatable Bond | 6 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 5 |
| Aromatic Atoms | 30 |
| Sp3Atoms | 1 |
| Symmetricatoms | 8 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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1 - 1-benzyl-2,4-diphenyl-6-[(E)-2-phenylethenyl]pyridin-1-ium | 2 - 1-benzyl-2,4-diphenyl-6-[(E)-2-phenylethenyl]pyridin-1-ium
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