(6E)-3-[(E)-carbazol-3-ylidenemethyl]-6-(9H-carbazol-3-ylmethylidene)carbazole
Formula:C38H23N3
Mutagenic:low
Tumorigenic:low
Reproductive Effective:none
(6E)-3-[(E)-carbazol-3-ylidenemethyl]-6-(9H-carbazol-3-ylmethylidene)carbazole is not a drug-like molecule.
| MolName | (6E)-3-[(E)-carbazol-3-ylidenemethyl]-6-(9H-carbazol-3-ylmethylidene)carbazole |
| MolecularFormula | C38H23N3 |
| Smiles | C(c(cc1)cc2c1[nH]c1c2cccc1)=C(\C=C1)/C=C2C1=Nc1c2cc(/C=C(\C=C2)/C=C3C2=Nc2c3cccc2)cc1 |
| InChI | InChI=1S/C38H23N3/c1-3-7-33-27(5-1)29-19-23(9-13-35(29)39-33)17-25-11-15-37-31(21-25)32-22-26(12-16-38(32)41-37)18-24-10-14-36-30(20-24)28-6-2-4-8-34(28)40-36/h1-22,39H |
| InChIK | ROQKMRASOAGQFL-UHFFFAOYSA-N |
| TotalMolweight | 521.622 |
| Molweight | 521.622 |
| MonoisotopicMass | 521.189197 |
| CLogP | 6.9015 |
| CLogS | -8.068 |
| H Acceptors | 3 |
| H Donors | 1 |
| TotalSurfaceArea | 395.33 |
| Relative PSA | 0.093618 |
| PolarSurfaceArea | 40.51 |
| Druglikeness | 0.6387 |
| Mutagenic | low |
| Tumorigenic | low |
| Reproductive Effective | none |
| Irritant | high |
| Nasty Functions | |
| Shape Index | 0.53659 |
| Fragments | 1 |
| Non HAtoms | 41 |
| NonCHAtoms | 3 |
| Electronegative Atoms | 3 |
| Rotatable Bond | 2 |
| Rings Closures | 9 |
| Small Rings | 9 |
| Aromatic Rings | 5 |
| Aromatic Atoms | 25 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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