About dimethyl-phenyl-[6-(9-phenylcarbazol-1-yl)-3-pyridinyl]silane
dimethyl-phenyl-[6-(9-phenylcarbazol-1-yl)-3-pyridinyl]silane (PubChem CID 140719813) has the molecular formula C31H26N2Si
and a molecular weight of 454.65 g/mol. Its IUPAC name is dimethyl-phenyl-[6-(9-phenylcarbazol-1-yl)-3-pyridinyl]silane.
Molecular Properties
| Compound Name | dimethyl-phenyl-[6-(9-phenylcarbazol-1-yl)-3-pyridinyl]silane |
| PubChem CID | 140719813 |
| Molecular Formula | C31H26N2Si |
| Molecular Weight | 454.65 g/mol |
| Exact Mass | 454.19 |
| IUPAC Name | dimethyl-phenyl-[6-(9-phenylcarbazol-1-yl)-3-pyridinyl]silane |
| SMILES | C[Si](C)(c1ccccc1)c1ccc(-c2cccc3c4ccccc4n(-c4ccccc4)c23)nc1 |
| InChI | InChI=1S/C31H26N2Si/c1-34(2,24-14-7-4-8-15-24)25-20-21-29(32-22-25)28-18-11-17-27-26-16-9-10-19-30(26)33(31(27)28)23-12-5-3-6-13-23/h3-22H,1-2H3 |
| InChIKey | ASCMAMLZTSECRY-UHFFFAOYSA-N |
| XLogP | 6.67 |
| TPSA | 17.82 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Heavy Atoms | 34 |
| Complexity | — |
Lipinski Rule of Five
1 violation
| Rule | Value |
| MW ≤ 500 | 454.65 |
| LogP ≤ 5 | 6.67 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 2 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'heavy_metal', 'substructure': 'N/A'} |
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Frequently Asked Questions
What is the IUPAC name of dimethyl-phenyl-[6-(9-phenylcarbazol-1-yl)-3-pyridinyl]silane?
The IUPAC name of dimethyl-phenyl-[6-(9-phenylcarbazol-1-yl)-3-pyridinyl]silane (CID 140719813) is dimethyl-phenyl-[6-(9-phenylcarbazol-1-yl)-3-pyridinyl]silane.
What is the SMILES notation for dimethyl-phenyl-[6-(9-phenylcarbazol-1-yl)-3-pyridinyl]silane?
The canonical SMILES for dimethyl-phenyl-[6-(9-phenylcarbazol-1-yl)-3-pyridinyl]silane is C[Si](C)(c1ccccc1)c1ccc(-c2cccc3c4ccccc4n(-c4ccccc4)c23)nc1.
What is the InChIKey of dimethyl-phenyl-[6-(9-phenylcarbazol-1-yl)-3-pyridinyl]silane?
The InChIKey is ASCMAMLZTSECRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H26N2Si/c1-34(2,24-14-7-4-8-15-24)25-20-21-29(32-22-25)28-18-11-17-27-26-16-9-10-19-30(26)33(31(27)28)23-12-5-3-6-13-23/h3-22H,1-2H3.
What are the key properties of dimethyl-phenyl-[6-(9-phenylcarbazol-1-yl)-3-pyridinyl]silane?
dimethyl-phenyl-[6-(9-phenylcarbazol-1-yl)-3-pyridinyl]silane has a molecular weight of 454.65 g/mol, XLogP of 6.67, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl-phenyl-[6-(9-phenylcarbazol-1-yl)-3-pyridinyl]silane is sourced from PubChem (CID 140719813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).