About 1-fluoro-4-methylbenzene;4-methylbenzonitrile;1-methylnaphthalene;2-methylnaphthalene;2-(4-methylphenyl)pyridine;3-(4-methylphenyl)pyridine;4-(4-methylphenyl)pyridine;2-methylpyridine;3-methylpyridine;4-methylpyridine;toluene;trimethyl-(4-methylphenyl)silane
1-fluoro-4-methylbenzene;4-methylbenzonitrile;1-methylnaphthalene;2-methylnaphthalene;2-(4-methylphenyl)pyridine;3-(4-methylphenyl)pyridine;4-(4-methylphenyl)pyridine;2-methylpyridine;3-methylpyridine;4-methylpyridine;toluene;trimethyl-(4-methylphenyl)silane (PubChem CID 159529298) has the molecular formula C108H112FN7Si
and a molecular weight of 1555.22 g/mol. Its IUPAC name is 1-fluoro-4-methylbenzene;4-methylbenzonitrile;1-methylnaphthalene;2-methylnaphthalene;2-(4-methylphenyl)pyridine;3-(4-methylphenyl)pyridine;4-(4-methylphenyl)pyridine;2-methylpyridine;3-methylpyridine;4-methylpyridine;toluene;trimethyl-(4-methylphenyl)silane.
Molecular Properties
| Compound Name | 1-fluoro-4-methylbenzene;4-methylbenzonitrile;1-methylnaphthalene;2-methylnaphthalene;2-(4-methylphenyl)pyridine;3-(4-methylphenyl)pyridine;4-(4-methylphenyl)pyridine;2-methylpyridine;3-methylpyridine;4-methylpyridine;toluene;trimethyl-(4-methylphenyl)silane |
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| PubChem CID | 159529298 |
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| Molecular Formula | C108H112FN7Si |
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| Molecular Weight | 1555.22 g/mol |
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| Exact Mass | 1553.87 |
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| IUPAC Name | 1-fluoro-4-methylbenzene;4-methylbenzonitrile;1-methylnaphthalene;2-methylnaphthalene;2-(4-methylphenyl)pyridine;3-(4-methylphenyl)pyridine;4-(4-methylphenyl)pyridine;2-methylpyridine;3-methylpyridine;4-methylpyridine;toluene;trimethyl-(4-methylphenyl)silane |
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| SMILES | Cc1ccc(-c2ccccn2)cc1.Cc1ccc(-c2cccnc2)cc1.Cc1ccc(-c2ccncc2)cc1.Cc1ccc(C#N)cc1.Cc1ccc(F)cc1.Cc1ccc([Si](C)(C)C)cc1.Cc1ccc2ccccc2c1.Cc1cccc2ccccc12.Cc1ccccc1.Cc1ccccn1.Cc1cccnc1.Cc1ccncc1 |
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| InChI | InChI=1S/3C12H11N.2C11H10.C10H16Si.C8H7N.C7H7F.C7H8.3C6H7N/c1-10-2-4-11(5-3-10)12-6-8-13-9-7-12;1-10-4-6-11(7-5-10)12-3-2-8-13-9-12;1-10-5-7-11(8-6-10)12-4-2-3-9-13-12;1-9-5-4-7-10-6-2-3-8-11(9)10;1-9-6-7-10-4-2-3-5-11(10)8-9;1-9-5-7-10(8-6-9)11(2,3)4;1-7-2-4-8(6-9)5-3-7;1-6-2-4-7(8)5-3-6;1-7-5-3-2-4-6-7;1-6-2-4-7-5-3-6;1-6-3-2-4-7-5-6;1-6-4-2-3-5-7-6/h3*2-9H,1H3;2*2-8H,1H3;5-8H,1-4H3;2-5H,1H3;2-5H,1H3;2-6H,1H3;3*2-5H,1H3 |
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| InChIKey | MCUBRAIGSFGEOK-UHFFFAOYSA-N |
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| XLogP | 28.17 |
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| TPSA | 101.13 Ų |
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| H-Bond Donors | |
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| H-Bond Acceptors | 7 |
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| Rotatable Bonds | 4 |
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| Heavy Atoms | 117 |
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| Complexity | — |
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Lipinski Rule of Five
2 violations
| Rule | Value |
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| MW ≤ 500 | 1555.22 |
| LogP ≤ 5 | 28.17 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 7 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'heavy_metal', 'substructure': 'N/A'} |
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Analyze 1-fluoro-4-methylbenzene;4-methylbenzonitrile;1-methylnaphthalene;2-methylnaphthalene;2-(4-methylphenyl)pyridine;3-(4-methylphenyl)pyridine;4-(4-methylphenyl)pyridine;2-methylpyridine;3-methylpyridine;4-methylpyridine;toluene;trimethyl-(4-methylphenyl)silane with MolForge
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Frequently Asked Questions
What is the IUPAC name of 1-fluoro-4-methylbenzene;4-methylbenzonitrile;1-methylnaphthalene;2-methylnaphthalene;2-(4-methylphenyl)pyridine;3-(4-methylphenyl)pyridine;4-(4-methylphenyl)pyridine;2-methylpyridine;3-methylpyridine;4-methylpyridine;toluene;trimethyl-(4-methylphenyl)silane?
The IUPAC name of 1-fluoro-4-methylbenzene;4-methylbenzonitrile;1-methylnaphthalene;2-methylnaphthalene;2-(4-methylphenyl)pyridine;3-(4-methylphenyl)pyridine;4-(4-methylphenyl)pyridine;2-methylpyridine;3-methylpyridine;4-methylpyridine;toluene;trimethyl-(4-methylphenyl)silane (CID 159529298) is 1-fluoro-4-methylbenzene;4-methylbenzonitrile;1-methylnaphthalene;2-methylnaphthalene;2-(4-methylphenyl)pyridine;3-(4-methylphenyl)pyridine;4-(4-methylphenyl)pyridine;2-methylpyridine;3-methylpyridine;4-methylpyridine;toluene;trimethyl-(4-methylphenyl)silane.
What is the SMILES notation for 1-fluoro-4-methylbenzene;4-methylbenzonitrile;1-methylnaphthalene;2-methylnaphthalene;2-(4-methylphenyl)pyridine;3-(4-methylphenyl)pyridine;4-(4-methylphenyl)pyridine;2-methylpyridine;3-methylpyridine;4-methylpyridine;toluene;trimethyl-(4-methylphenyl)silane?
The canonical SMILES for 1-fluoro-4-methylbenzene;4-methylbenzonitrile;1-methylnaphthalene;2-methylnaphthalene;2-(4-methylphenyl)pyridine;3-(4-methylphenyl)pyridine;4-(4-methylphenyl)pyridine;2-methylpyridine;3-methylpyridine;4-methylpyridine;toluene;trimethyl-(4-methylphenyl)silane is Cc1ccc(-c2ccccn2)cc1.Cc1ccc(-c2cccnc2)cc1.Cc1ccc(-c2ccncc2)cc1.Cc1ccc(C#N)cc1.Cc1ccc(F)cc1.Cc1ccc([Si](C)(C)C)cc1.Cc1ccc2ccccc2c1.Cc1cccc2ccccc12.Cc1ccccc1.Cc1ccccn1.Cc1cccnc1.Cc1ccncc1.
What is the InChIKey of 1-fluoro-4-methylbenzene;4-methylbenzonitrile;1-methylnaphthalene;2-methylnaphthalene;2-(4-methylphenyl)pyridine;3-(4-methylphenyl)pyridine;4-(4-methylphenyl)pyridine;2-methylpyridine;3-methylpyridine;4-methylpyridine;toluene;trimethyl-(4-methylphenyl)silane?
The InChIKey is MCUBRAIGSFGEOK-UHFFFAOYSA-N. The full InChI is InChI=1S/3C12H11N.2C11H10.C10H16Si.C8H7N.C7H7F.C7H8.3C6H7N/c1-10-2-4-11(5-3-10)12-6-8-13-9-7-12;1-10-4-6-11(7-5-10)12-3-2-8-13-9-12;1-10-5-7-11(8-6-10)12-4-2-3-9-13-12;1-9-5-4-7-10-6-2-3-8-11(9)10;1-9-6-7-10-4-2-3-5-11(10)8-9;1-9-5-7-10(8-6-9)11(2,3)4;1-7-2-4-8(6-9)5-3-7;1-6-2-4-7(8)5-3-6;1-7-5-3-2-4-6-7;1-6-2-4-7-5-3-6;1-6-3-2-4-7-5-6;1-6-4-2-3-5-7-6/h3*2-9H,1H3;2*2-8H,1H3;5-8H,1-4H3;2-5H,1H3;2-5H,1H3;2-6H,1H3;3*2-5H,1H3.
What are the key properties of 1-fluoro-4-methylbenzene;4-methylbenzonitrile;1-methylnaphthalene;2-methylnaphthalene;2-(4-methylphenyl)pyridine;3-(4-methylphenyl)pyridine;4-(4-methylphenyl)pyridine;2-methylpyridine;3-methylpyridine;4-methylpyridine;toluene;trimethyl-(4-methylphenyl)silane?
1-fluoro-4-methylbenzene;4-methylbenzonitrile;1-methylnaphthalene;2-methylnaphthalene;2-(4-methylphenyl)pyridine;3-(4-methylphenyl)pyridine;4-(4-methylphenyl)pyridine;2-methylpyridine;3-methylpyridine;4-methylpyridine;toluene;trimethyl-(4-methylphenyl)silane has a molecular weight of 1555.22 g/mol, XLogP of 28.17, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluoro-4-methylbenzene;4-methylbenzonitrile;1-methylnaphthalene;2-methylnaphthalene;2-(4-methylphenyl)pyridine;3-(4-methylphenyl)pyridine;4-(4-methylphenyl)pyridine;2-methylpyridine;3-methylpyridine;4-methylpyridine;toluene;trimethyl-(4-methylphenyl)silane is sourced from PubChem (CID 159529298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).