About [4-[(4-methylphenyl)methyl]phenyl]-propan-2-ylidenesilane;[4-(4-methylphenyl)phenyl]-propan-2-ylidenesilane;(4-methylphenyl)-propan-2-ylidenesilane
[4-[(4-methylphenyl)methyl]phenyl]-propan-2-ylidenesilane;[4-(4-methylphenyl)phenyl]-propan-2-ylidenesilane;(4-methylphenyl)-propan-2-ylidenesilane (PubChem CID 123992611) has the molecular formula C43H52Si3
and a molecular weight of 653.15 g/mol. Its IUPAC name is [4-[(4-methylphenyl)methyl]phenyl]-propan-2-ylidenesilane;[4-(4-methylphenyl)phenyl]-propan-2-ylidenesilane;(4-methylphenyl)-propan-2-ylidenesilane.
Molecular Properties
| Compound Name | [4-[(4-methylphenyl)methyl]phenyl]-propan-2-ylidenesilane;[4-(4-methylphenyl)phenyl]-propan-2-ylidenesilane;(4-methylphenyl)-propan-2-ylidenesilane |
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| PubChem CID | 123992611 |
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| Molecular Formula | C43H52Si3 |
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| Molecular Weight | 653.15 g/mol |
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| Exact Mass | 652.34 |
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| IUPAC Name | [4-[(4-methylphenyl)methyl]phenyl]-propan-2-ylidenesilane;[4-(4-methylphenyl)phenyl]-propan-2-ylidenesilane;(4-methylphenyl)-propan-2-ylidenesilane |
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| SMILES | CC(C)=[SiH]c1ccc(-c2ccc(C)cc2)cc1.CC(C)=[SiH]c1ccc(C)cc1.CC(C)=[SiH]c1ccc(Cc2ccc(C)cc2)cc1 |
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| InChI | InChI=1S/C17H20Si.C16H18Si.C10H14Si/c1-13(2)18-17-10-8-16(9-11-17)12-15-6-4-14(3)5-7-15;1-12(2)17-16-10-8-15(9-11-16)14-6-4-13(3)5-7-14;1-8(2)11-10-6-4-9(3)5-7-10/h4-11,18H,12H2,1-3H3;4-11,17H,1-3H3;4-7,11H,1-3H3 |
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| InChIKey | OCRKXJZBVXCJCA-UHFFFAOYSA-N |
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| XLogP | 7.06 |
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| TPSA | 0.00 Ų |
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| H-Bond Donors | |
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| H-Bond Acceptors | |
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| Rotatable Bonds | 6 |
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| Heavy Atoms | 46 |
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| Complexity | — |
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Lipinski Rule of Five
2 violations
| Rule | Value |
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| MW ≤ 500 | 653.15 |
| LogP ≤ 5 | 7.06 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 0 |
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 [4-[(4-methylphenyl)methyl]phenyl]-propan-2-ylidenesilane;[4-(4-methylphenyl)phenyl]-propan-2-ylidenesilane;(4-methylphenyl)-propan-2-ylidenesilane?
The IUPAC name of [4-[(4-methylphenyl)methyl]phenyl]-propan-2-ylidenesilane;[4-(4-methylphenyl)phenyl]-propan-2-ylidenesilane;(4-methylphenyl)-propan-2-ylidenesilane (CID 123992611) is [4-[(4-methylphenyl)methyl]phenyl]-propan-2-ylidenesilane;[4-(4-methylphenyl)phenyl]-propan-2-ylidenesilane;(4-methylphenyl)-propan-2-ylidenesilane.
What is the SMILES notation for [4-[(4-methylphenyl)methyl]phenyl]-propan-2-ylidenesilane;[4-(4-methylphenyl)phenyl]-propan-2-ylidenesilane;(4-methylphenyl)-propan-2-ylidenesilane?
The canonical SMILES for [4-[(4-methylphenyl)methyl]phenyl]-propan-2-ylidenesilane;[4-(4-methylphenyl)phenyl]-propan-2-ylidenesilane;(4-methylphenyl)-propan-2-ylidenesilane is CC(C)=[SiH]c1ccc(-c2ccc(C)cc2)cc1.CC(C)=[SiH]c1ccc(C)cc1.CC(C)=[SiH]c1ccc(Cc2ccc(C)cc2)cc1.
What is the InChIKey of [4-[(4-methylphenyl)methyl]phenyl]-propan-2-ylidenesilane;[4-(4-methylphenyl)phenyl]-propan-2-ylidenesilane;(4-methylphenyl)-propan-2-ylidenesilane?
The InChIKey is OCRKXJZBVXCJCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20Si.C16H18Si.C10H14Si/c1-13(2)18-17-10-8-16(9-11-17)12-15-6-4-14(3)5-7-15;1-12(2)17-16-10-8-15(9-11-16)14-6-4-13(3)5-7-14;1-8(2)11-10-6-4-9(3)5-7-10/h4-11,18H,12H2,1-3H3;4-11,17H,1-3H3;4-7,11H,1-3H3.
What are the key properties of [4-[(4-methylphenyl)methyl]phenyl]-propan-2-ylidenesilane;[4-(4-methylphenyl)phenyl]-propan-2-ylidenesilane;(4-methylphenyl)-propan-2-ylidenesilane?
[4-[(4-methylphenyl)methyl]phenyl]-propan-2-ylidenesilane;[4-(4-methylphenyl)phenyl]-propan-2-ylidenesilane;(4-methylphenyl)-propan-2-ylidenesilane has a molecular weight of 653.15 g/mol, XLogP of 7.06, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(4-methylphenyl)methyl]phenyl]-propan-2-ylidenesilane;[4-(4-methylphenyl)phenyl]-propan-2-ylidenesilane;(4-methylphenyl)-propan-2-ylidenesilane is sourced from PubChem (CID 123992611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).