8-phenyl-6-[(E)-2-phenylethenyl]pyrido[1,2-f]phenanthridin-5-ium
Formula:C31H22N
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
8-phenyl-6-[(E)-2-phenylethenyl]pyrido[1,2-f]phenanthridin-5-ium is not a drug-like molecule.
| MolName | 8-phenyl-6-[(E)-2-phenylethenyl]pyrido[1,2-f]phenanthridin-5-ium |
| MolecularFormula | C31H22N |
| Smiles | C(c1ccccc1)=C/c1cc(-c2ccccc2)cc2c(cccc3)c3c(cccc3)c3[n+]12 |
| InChI | InChI=1S/C31H22N/c1-3-11-23(12-4-1)19-20-26-21-25(24-13-5-2-6-14-24)22-31-29-17-8-7-15-27(29)28-16-9-10-18-30(28)32(26)31/h1-22H/q+1 |
| InChIK | QWUAZEYFFZJTCU-UHFFFAOYSA-N |
| TotalMolweight | 408.523 |
| Molweight | 408.523 |
| MonoisotopicMass | 408.175224 |
| CLogP | 7.462 |
| CLogS | -10.381 |
| H Acceptors | 1 |
| TotalSurfaceArea | 299.21 |
| Relative PSA | -0.062765 |
| PolarSurfaceArea | 4.1 |
| Druglikeness | -2.0025 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.40625 |
| Fragments | 1 |
| Non HAtoms | 32 |
| NonCHAtoms | 1 |
| Electronegative Atoms | 1 |
| Rotatable Bond | 3 |
| Rings Closures | 6 |
| Small Rings | 6 |
| Aromatic Rings | 6 |
| Aromatic Atoms | 30 |
| Symmetricatoms | 4 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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1 - 8-phenyl-6-[(E)-2-phenylethenyl]pyrido[1,2-f]phenanthridin-5-ium | 2 - 8-phenyl-6-[(E)-2-phenylethenyl]pyrido[1,2-f]phenanthridin-5-ium
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