2-[(E)-2-[4-[(E)-2-(4,6-diphenylpyrylium-2-yl)ethenyl]phenyl]ethenyl]-4,6-diphenylpyrylium
Formula:C44H32O2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-[(E)-2-[4-[(E)-2-(4,6-diphenylpyrylium-2-yl)ethenyl]phenyl]ethenyl]-4,6-diphenylpyrylium is not a drug-like molecule.
| MolName | 2-[(E)-2-[4-[(E)-2-(4,6-diphenylpyrylium-2-yl)ethenyl]phenyl]ethenyl]-4,6-diphenylpyrylium |
| MolecularFormula | C44H32O2 |
| Smiles | C(c1ccc(/C=C/c2cc(-c3ccccc3)cc(-c3ccccc3)[o+]2)cc1)=C/c1[o+]c(-c2ccccc2)cc(-c2ccccc2)c1 |
| InChI | InChI=1S/C44H32O2/c1-5-13-35(14-6-1)39-29-41(45-43(31-39)37-17-9-3-10-18-37)27-25-33-21-23-34(24-22-33)26-28-42-30-40(36-15-7-2-8-16-36)32-44(46-42)38-19-11-4-12-20-38/h1-32H/q+2 |
| InChIK | AMZGRYHOYYDWSW-UHFFFAOYSA-N |
| TotalMolweight | 592.736 |
| Molweight | 592.736 |
| MonoisotopicMass | 592.24023 |
| CLogP | 10.28 |
| CLogS | -13.342 |
| H Acceptors | 2 |
| TotalSurfaceArea | 460.4 |
| Druglikeness | -5.7424 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | pyrylium |
| Shape Index | 0.47826 |
| Fragments | 1 |
| Non HAtoms | 46 |
| NonCHAtoms | 2 |
| Electronegative Atoms | 2 |
| Rotatable Bond | 8 |
| Rings Closures | 7 |
| Small Rings | 7 |
| Aromatic Rings | 7 |
| Aromatic Atoms | 42 |
| Symmetricatoms | 28 |
| StereoCon |
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1 - 2-[(E)-2-[4-[(E)-2-(4,6-diphenylpyrylium-2-yl)ethenyl]phenyl]ethenyl]-4,6-diphenylpyrylium | 2 - 2-[(E)-2-[4-[(E)-2-(4,6-diphenylpyrylium-2-yl)ethenyl]phenyl]ethenyl]-4,6-diphenylpyrylium
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