C40H28N8Si — CID 71124274
(6-pyridin-2-yl-3-pyridinyl)-bis(6-pyridin-3-yl-3-pyridinyl)-(6-pyridin-4-yl-3-pyridinyl)silane (PubChem CID 71124274) has the molecular formula C40H28N8Si and a molecular weight of 648.81 g/mol. Its IUPAC name is (6-pyridin-2-yl-3-pyridinyl)-bis(6-pyridin-3-yl-3-pyridinyl)-(6-pyridin-4-yl-3-pyridinyl)silane.
| Compound Name | (6-pyridin-2-yl-3-pyridinyl)-bis(6-pyridin-3-yl-3-pyridinyl)-(6-pyridin-4-yl-3-pyridinyl)silane |
|---|---|
| PubChem CID | 71124274 |
| Molecular Formula | C40H28N8Si |
| Molecular Weight | 648.81 g/mol |
| Exact Mass | 648.22 |
| IUPAC Name | (6-pyridin-2-yl-3-pyridinyl)-bis(6-pyridin-3-yl-3-pyridinyl)-(6-pyridin-4-yl-3-pyridinyl)silane |
| SMILES | c1ccc(-c2ccc([Si](c3ccc(-c4ccncc4)nc3)(c3ccc(-c4cccnc4)nc3)c3ccc(-c4cccnc4)nc3)cn2)nc1 |
| InChI | InChI=1S/C40H28N8Si/c1-2-20-44-39(7-1)40-15-11-35(28-48-40)49(32-8-12-36(45-25-32)29-16-21-41-22-17-29,33-9-13-37(46-26-33)30-5-3-18-42-23-30)34-10-14-38(47-27-34)31-6-4-19-43-24-31/h1-28H |
| InChIKey | QMNPEWXIHXFESB-UHFFFAOYSA-N |
| XLogP | 4.89 |
| TPSA | 103.12 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 8 |
| Rotatable Bonds | 8 |
| Heavy Atoms | 49 |
| Complexity | — |
1 violation
| Rule | Value |
|---|---|
| MW ≤ 500 | 648.81 |
| LogP ≤ 5 | 4.89 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 8 |
| Structural Alerts | {'alert_name': 'heavy_metal', 'substructure': 'N/A'} |
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