| MolName | (E)-2-(1H-benzimidazol-2-yl)-3-(1,2-diphenylindol-3-yl)prop-2-enenitrile |
| MolecularFormula | C30H20N4 |
| Smiles | N#C/C(/c1nc(cccc2)c2[nH]1)=C\c(c1c2cccc1)c(-c1ccccc1)n2-c1ccccc1 |
| InChI | InChI=1S/C30H20N4/c31-20-22(30-32-26-16-8-9-17-27(26)33-30)19-25-24-15-7-10-18-28(24)34(23-13-5-2-6-14-23)29(25)21-11-3-1-4-12-21/h1-19H,(H,32,33) |
| InChIK | GEEGZYSXKSJCDF-UHFFFAOYSA-N |
| TotalMolweight | 436.517 |
| Molweight | 436.517 |
| MonoisotopicMass | 436.168796 |
| CLogP | 6.0737 |
| CLogS | -8.716 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 345.69 |
| Relative PSA | 0.1313 |
| PolarSurfaceArea | 57.4 |
| Druglikeness | -2.711 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.41176 |
| Fragments | 1 |
| Non HAtoms | 34 |
| NonCHAtoms | 4 |
| Electronegative Atoms | 4 |
| Rotatable Bond | 4 |
| Rings Closures | 6 |
| Small Rings | 6 |
| Aromatic Rings | 6 |
| Aromatic Atoms | 30 |
| Symmetricatoms | 4 |
| Aromatic Nitrogens | 3 |
| BasicNitrogens | 1 |
| StereoCon |
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1 - (E)-2-(1H-benzimidazol-2-yl)-3-(1,2-diphenylindol-3-yl)prop-2-enenitrile | 2 - (E)-2-(1H-benzimidazol-2-yl)-3-(1,2-diphenylindol-3-yl)prop-2-enenitrile