[(Z)-2-diphenylboranyl-1,2-diphenylethenyl]-diphenylphosphane
Formula:C38H30BP
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
[(Z)-2-diphenylboranyl-1,2-diphenylethenyl]-diphenylphosphane is not a drug-like molecule.
| MolName | [(Z)-2-diphenylboranyl-1,2-diphenylethenyl]-diphenylphosphane |
| MolecularFormula | C38H30BP |
| Smiles | c1ccc(B(/C(/c2ccccc2)=C(\c2ccccc2)/P(c2ccccc2)c2ccccc2)c2ccccc2)cc1 |
| InChI | InChI=1S/C38H30BP/c1-7-19-31(20-8-1)37(39(33-23-11-3-12-24-33)34-25-13-4-14-26-34)38(32-21-9-2-10-22-32)40(35-27-15-5-16-28-35)36-29-17-6-18-30-36/h1-30H |
| InChIK | QEMLRKTZJKHNMQ-UHFFFAOYSA-N |
| TotalMolweight | 528.441 |
| Molweight | 528.441 |
| MonoisotopicMass | 528.217817 |
| CLogP | 9.2246 |
| CLogS | -8.145 |
| TotalSurfaceArea | 416.33 |
| PolarSurfaceArea | 13.59 |
| Druglikeness | -21.915 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | low |
| Nasty Functions | unwanted atom |
| Shape Index | 0.3 |
| Fragments | 1 |
| Non HAtoms | 40 |
| NonCHAtoms | 2 |
| Electronegative Atoms | 1 |
| Rotatable Bond | 8 |
| Rings Closures | 6 |
| Small Rings | 6 |
| Aromatic Rings | 6 |
| Aromatic Atoms | 36 |
| Sp3Atoms | 1 |
| Symmetricatoms | 20 |
| StereoCon |
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1 - [(Z)-2-diphenylboranyl-1,2-diphenylethenyl]-diphenylphosphane | 2 - [(Z)-2-diphenylboranyl-1,2-diphenylethenyl]-diphenylphosphane
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