4-(P-Methoxyphenyl)-2-(4-phenyl-2-pyridyl)-6-(2-pyridyl)-pyridine
PubChem CID: 634455
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| Compound Synonyms | MBFTWTMHKSEWMJ-UHFFFAOYSA-N, 4-(P-METHOXYPHENYL)-2-(4-PHENYL-2-PYRIDYL)-6-(2-PYRIDYL)-PYRIDINE |
|---|---|
| Ghose Rule | False |
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 47.9 |
| Hydrogen Bond Donor Count | 0.0 |
| Pfizer 3 75 Rule | False |
| Scaffold Graph Level | C1CCC(C2CCCC(C3CC(C4CCCCC4)CC(C4CCCCC4)C3)C2)CC1 |
| Np Classifier Class | Pyridine alkaloids |
| Deep Smiles | COcccccc6))cccncc6)cccccn6))))))))cncccc6)cccccc6 |
| Heavy Atom Count | 32.0 |
| Classyfire Class | Pyridines and derivatives |
| Scaffold Graph Node Level | C1CCC(C2CCNC(C3CC(C4CCCCC4)CC(C4CCCCN4)N3)C2)CC1 |
| Classyfire Subclass | Bipyridines and oligopyridines |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 557.0 |
| Database Name | imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 4-(4-methoxyphenyl)-2-(4-phenylpyridin-2-yl)-6-pyridin-2-ylpyridine |
| Veber Rule | True |
| Classyfire Superclass | Organoheterocyclic compounds |
| Xlogp | 5.3 |
| Gsk 4 400 Rule | False |
| Molecular Formula | C28H21N3O |
| Scaffold Graph Node Bond Level | c1ccc(-c2ccnc(-c3cc(-c4ccccc4)cc(-c4ccccn4)n3)c2)cc1 |
| Inchi Key | MBFTWTMHKSEWMJ-UHFFFAOYSA-N |
| Silicos It Class | Insoluble |
| Rotatable Bond Count | 5.0 |
| Synonyms | 4-(-p-methoxyphenyl)-2-(4-phenyl-2-pyridyl)-6-(2-pyridyl)-pyridine |
| Esol Class | Poorly soluble |
| Functional Groups | cOC, cnc |
| Compound Name | 4-(P-Methoxyphenyl)-2-(4-phenyl-2-pyridyl)-6-(2-pyridyl)-pyridine |
| Exact Mass | 415.168 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 415.168 |
| Hydrogen Bond Acceptor Count | 4.0 |
| Molecular Weight | 415.5 |
| Gi Absorption | True |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Lipinski Rule Of 5 | True |
| Inchi | InChI=1S/C28H21N3O/c1-32-24-12-10-21(11-13-24)23-18-27(25-9-5-6-15-29-25)31-28(19-23)26-17-22(14-16-30-26)20-7-3-2-4-8-20/h2-19H,1H3 |
| Smiles | COC1=CC=C(C=C1)C2=CC(=NC(=C2)C3=NC=CC(=C3)C4=CC=CC=C4)C5=CC=CC=N5 |
| Np Classifier Biosynthetic Pathway | Alkaloids |
| Defined Bond Stereocenter Count | 0.0 |
| Egan Rule | False |
| Np Classifier Superclass | Nicotinic acid alkaloids |
- 1. Outgoing r'ship
FOUND_INto/from Jatropha Curcas (Plant) Rel Props:Reference:https://doi.org/10.1080/0972060x.2014.886965