1-[(1E,3E)-5-(2,3,4,5-tetraphenylcyclopenta-2,4-dien-1-ylidene)penta-1,3-dienyl]piperidine
Formula:C39H35N
Mutagenic:none
Tumorigenic:low
Reproductive Effective:high
1-[(1E,3E)-5-(2,3,4,5-tetraphenylcyclopenta-2,4-dien-1-ylidene)penta-1,3-dienyl]piperidine is not a drug-like molecule.
| MolName | 1-[(1E,3E)-5-(2,3,4,5-tetraphenylcyclopenta-2,4-dien-1-ylidene)penta-1,3-dienyl]piperidine |
| MolecularFormula | C39H35N |
| Smiles | C(CC1)CCN1/C=C/C=C/C=C(C(c1ccccc1)=C1c2ccccc2)C(c2ccccc2)=C1c1ccccc1 |
| InChI | InChI=1S/C39H35N/c1-7-19-31(20-8-1)36-35(27-15-5-16-28-40-29-17-6-18-30-40)37(32-21-9-2-10-22-32)39(34-25-13-4-14-26-34)38(36)33-23-11-3-12-24-33/h1-5,7-16,19-28H,6,17-18,29-30H2 |
| InChIK | DTUQAPRCDGQOMB-UHFFFAOYSA-N |
| TotalMolweight | 517.714 |
| Molweight | 517.714 |
| MonoisotopicMass | 517.276949 |
| CLogP | 8.1019 |
| CLogS | -6.303 |
| H Acceptors | 1 |
| TotalSurfaceArea | 428.19 |
| Relative PSA | 0.0082907 |
| PolarSurfaceArea | 3.24 |
| Druglikeness | 1.5625 |
| Mutagenic | none |
| Tumorigenic | low |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.4 |
| Fragments | 1 |
| Non HAtoms | 40 |
| NonCHAtoms | 1 |
| Electronegative Atoms | 1 |
| Rotatable Bond | 7 |
| Rings Closures | 6 |
| Small Rings | 6 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 24 |
| Sp3Atoms | 6 |
| Symmetricatoms | 20 |
| BasicNitrogens | 1 |
| StereoCon |
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1 - 1-[(1E,3E)-5-(2,3,4,5-tetraphenylcyclopenta-2,4-dien-1-ylidene)penta-1,3-dienyl]piperidine | 2 - 1-[(1E,3E)-5-(2,3,4,5-tetraphenylcyclopenta-2,4-dien-1-ylidene)penta-1,3-dienyl]piperidine
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