About 3-(3-methoxyphenyl)-6-[5-(3-methoxyphenyl)-6-methyl-2-pyridinyl]-2-methylpyridine
3-(3-methoxyphenyl)-6-[5-(3-methoxyphenyl)-6-methyl-2-pyridinyl]-2-methylpyridine (PubChem CID 101485058) has the molecular formula C26H24N2O2
and a molecular weight of 396.49 g/mol. Its IUPAC name is 3-(3-methoxyphenyl)-6-[5-(3-methoxyphenyl)-6-methyl-2-pyridinyl]-2-methylpyridine.
Molecular Properties
| Compound Name | 3-(3-methoxyphenyl)-6-[5-(3-methoxyphenyl)-6-methyl-2-pyridinyl]-2-methylpyridine |
| PubChem CID | 101485058 |
| Molecular Formula | C26H24N2O2 |
| Molecular Weight | 396.49 g/mol |
| Exact Mass | 396.18 |
| IUPAC Name | 3-(3-methoxyphenyl)-6-[5-(3-methoxyphenyl)-6-methyl-2-pyridinyl]-2-methylpyridine |
| SMILES | COc1cccc(-c2ccc(-c3ccc(-c4cccc(OC)c4)c(C)n3)nc2C)c1 |
| InChI | InChI=1S/C26H24N2O2/c1-17-23(19-7-5-9-21(15-19)29-3)11-13-25(27-17)26-14-12-24(18(2)28-26)20-8-6-10-22(16-20)30-4/h5-16H,1-4H3 |
| InChIKey | BYSXMSNKUWRYSL-UHFFFAOYSA-N |
| XLogP | 6.11 |
| TPSA | 44.24 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Heavy Atoms | 30 |
| Complexity | — |
Lipinski Rule of Five
1 violation
| Rule | Value |
| MW ≤ 500 | 396.49 |
| LogP ≤ 5 | 6.11 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 4 |
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Frequently Asked Questions
What is the IUPAC name of 3-(3-methoxyphenyl)-6-[5-(3-methoxyphenyl)-6-methyl-2-pyridinyl]-2-methylpyridine?
The IUPAC name of 3-(3-methoxyphenyl)-6-[5-(3-methoxyphenyl)-6-methyl-2-pyridinyl]-2-methylpyridine (CID 101485058) is 3-(3-methoxyphenyl)-6-[5-(3-methoxyphenyl)-6-methyl-2-pyridinyl]-2-methylpyridine.
What is the SMILES notation for 3-(3-methoxyphenyl)-6-[5-(3-methoxyphenyl)-6-methyl-2-pyridinyl]-2-methylpyridine?
The canonical SMILES for 3-(3-methoxyphenyl)-6-[5-(3-methoxyphenyl)-6-methyl-2-pyridinyl]-2-methylpyridine is COc1cccc(-c2ccc(-c3ccc(-c4cccc(OC)c4)c(C)n3)nc2C)c1.
What is the InChIKey of 3-(3-methoxyphenyl)-6-[5-(3-methoxyphenyl)-6-methyl-2-pyridinyl]-2-methylpyridine?
The InChIKey is BYSXMSNKUWRYSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24N2O2/c1-17-23(19-7-5-9-21(15-19)29-3)11-13-25(27-17)26-14-12-24(18(2)28-26)20-8-6-10-22(16-20)30-4/h5-16H,1-4H3.
What are the key properties of 3-(3-methoxyphenyl)-6-[5-(3-methoxyphenyl)-6-methyl-2-pyridinyl]-2-methylpyridine?
3-(3-methoxyphenyl)-6-[5-(3-methoxyphenyl)-6-methyl-2-pyridinyl]-2-methylpyridine has a molecular weight of 396.49 g/mol, XLogP of 6.11, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methoxyphenyl)-6-[5-(3-methoxyphenyl)-6-methyl-2-pyridinyl]-2-methylpyridine is sourced from PubChem (CID 101485058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).