9-[(2E,4Z)-5-(9H-fluoren-9-yl)-1,5-diphenylpenta-2,4-dienylidene]fluorene
Formula:C43H30
Mutagenic:high
Tumorigenic:high
Reproductive Effective:high
9-[(2E,4Z)-5-(9H-fluoren-9-yl)-1,5-diphenylpenta-2,4-dienylidene]fluorene is not a drug-like molecule.
| MolName | 9-[(2E,4Z)-5-(9H-fluoren-9-yl)-1,5-diphenylpenta-2,4-dienylidene]fluorene |
| MolecularFormula | C43H30 |
| Smiles | C(/C=C(/C1c(cccc2)c2-c2c1cccc2)\c1ccccc1)=C/C(c1ccccc1)=C1c(cccc2)c2-c2c1cccc2 |
| InChI | InChI=1S/C43H30/c1-3-16-30(17-4-1)32(42-38-24-11-7-20-34(38)35-21-8-12-25-39(35)42)28-15-29-33(31-18-5-2-6-19-31)43-40-26-13-9-22-36(40)37-23-10-14-27-41(37)43/h1-29,42H |
| InChIK | OOHYYMGQHVLRRU-UHFFFAOYSA-N |
| TotalMolweight | 546.711 |
| Molweight | 546.711 |
| MonoisotopicMass | 546.23475 |
| CLogP | 10.522 |
| CLogS | -10.551 |
| TotalSurfaceArea | 431.69 |
| Druglikeness | -0.033583 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.34884 |
| Fragments | 1 |
| Non HAtoms | 43 |
| Rotatable Bond | 5 |
| Rings Closures | 8 |
| Small Rings | 8 |
| Aromatic Rings | 6 |
| Aromatic Atoms | 36 |
| Sp3Atoms | 1 |
| Symmetricatoms | 16 |
| StereoCon |
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