About 4-[5-[5-(2,6-dipyridin-2-yl-4-pyridinyl)-4-methylthiophen-2-yl]-3-methylthiophen-2-yl]-2,6-dipyridin-2-ylpyridine
4-[5-[5-(2,6-dipyridin-2-yl-4-pyridinyl)-4-methylthiophen-2-yl]-3-methylthiophen-2-yl]-2,6-dipyridin-2-ylpyridine (PubChem CID 102264040) has the molecular formula C40H28N6S2
and a molecular weight of 656.84 g/mol. Its IUPAC name is 4-[5-[5-(2,6-dipyridin-2-yl-4-pyridinyl)-4-methylthiophen-2-yl]-3-methylthiophen-2-yl]-2,6-dipyridin-2-ylpyridine.
Molecular Properties
| Compound Name | 4-[5-[5-(2,6-dipyridin-2-yl-4-pyridinyl)-4-methylthiophen-2-yl]-3-methylthiophen-2-yl]-2,6-dipyridin-2-ylpyridine |
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| PubChem CID | 102264040 |
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| Molecular Formula | C40H28N6S2 |
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| Molecular Weight | 656.84 g/mol |
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| Exact Mass | 656.18 |
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| IUPAC Name | 4-[5-[5-(2,6-dipyridin-2-yl-4-pyridinyl)-4-methylthiophen-2-yl]-3-methylthiophen-2-yl]-2,6-dipyridin-2-ylpyridine |
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| SMILES | Cc1cc(-c2cc(C)c(-c3cc(-c4ccccn4)nc(-c4ccccn4)c3)s2)sc1-c1cc(-c2ccccn2)nc(-c2ccccn2)c1 |
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| InChI | InChI=1S/C40H28N6S2/c1-25-19-37(47-39(25)27-21-33(29-11-3-7-15-41-29)45-34(22-27)30-12-4-8-16-42-30)38-20-26(2)40(48-38)28-23-35(31-13-5-9-17-43-31)46-36(24-28)32-14-6-10-18-44-32/h3-24H,1-2H3 |
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| InChIKey | IAPJPBATMHKEOZ-UHFFFAOYSA-N |
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| XLogP | 10.47 |
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| TPSA | 77.34 Ų |
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| H-Bond Donors | |
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| H-Bond Acceptors | 8 |
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| Rotatable Bonds | 7 |
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| Heavy Atoms | 48 |
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| Complexity | — |
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Lipinski Rule of Five
2 violations
| Rule | Value |
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| MW ≤ 500 | 656.84 |
| LogP ≤ 5 | 10.47 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 8 |
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Frequently Asked Questions
What is the IUPAC name of 4-[5-[5-(2,6-dipyridin-2-yl-4-pyridinyl)-4-methylthiophen-2-yl]-3-methylthiophen-2-yl]-2,6-dipyridin-2-ylpyridine?
The IUPAC name of 4-[5-[5-(2,6-dipyridin-2-yl-4-pyridinyl)-4-methylthiophen-2-yl]-3-methylthiophen-2-yl]-2,6-dipyridin-2-ylpyridine (CID 102264040) is 4-[5-[5-(2,6-dipyridin-2-yl-4-pyridinyl)-4-methylthiophen-2-yl]-3-methylthiophen-2-yl]-2,6-dipyridin-2-ylpyridine.
What is the SMILES notation for 4-[5-[5-(2,6-dipyridin-2-yl-4-pyridinyl)-4-methylthiophen-2-yl]-3-methylthiophen-2-yl]-2,6-dipyridin-2-ylpyridine?
The canonical SMILES for 4-[5-[5-(2,6-dipyridin-2-yl-4-pyridinyl)-4-methylthiophen-2-yl]-3-methylthiophen-2-yl]-2,6-dipyridin-2-ylpyridine is Cc1cc(-c2cc(C)c(-c3cc(-c4ccccn4)nc(-c4ccccn4)c3)s2)sc1-c1cc(-c2ccccn2)nc(-c2ccccn2)c1.
What is the InChIKey of 4-[5-[5-(2,6-dipyridin-2-yl-4-pyridinyl)-4-methylthiophen-2-yl]-3-methylthiophen-2-yl]-2,6-dipyridin-2-ylpyridine?
The InChIKey is IAPJPBATMHKEOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H28N6S2/c1-25-19-37(47-39(25)27-21-33(29-11-3-7-15-41-29)45-34(22-27)30-12-4-8-16-42-30)38-20-26(2)40(48-38)28-23-35(31-13-5-9-17-43-31)46-36(24-28)32-14-6-10-18-44-32/h3-24H,1-2H3.
What are the key properties of 4-[5-[5-(2,6-dipyridin-2-yl-4-pyridinyl)-4-methylthiophen-2-yl]-3-methylthiophen-2-yl]-2,6-dipyridin-2-ylpyridine?
4-[5-[5-(2,6-dipyridin-2-yl-4-pyridinyl)-4-methylthiophen-2-yl]-3-methylthiophen-2-yl]-2,6-dipyridin-2-ylpyridine has a molecular weight of 656.84 g/mol, XLogP of 10.47, 7 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-[5-(2,6-dipyridin-2-yl-4-pyridinyl)-4-methylthiophen-2-yl]-3-methylthiophen-2-yl]-2,6-dipyridin-2-ylpyridine is sourced from PubChem (CID 102264040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).