About [1-[[2-[2-[[4,5-bis(trimethylsilyl)triazol-1-yl]methyl]phenyl]phenyl]methyl]-5-trimethylsilyltriazol-4-yl]-trimethylsilane
[1-[[2-[2-[[4,5-bis(trimethylsilyl)triazol-1-yl]methyl]phenyl]phenyl]methyl]-5-trimethylsilyltriazol-4-yl]-trimethylsilane (PubChem CID 102525658) has the molecular formula C30H48N6Si4
and a molecular weight of 605.10 g/mol. Its IUPAC name is [1-[[2-[2-[[4,5-bis(trimethylsilyl)triazol-1-yl]methyl]phenyl]phenyl]methyl]-5-trimethylsilyltriazol-4-yl]-trimethylsilane.
Molecular Properties
| Compound Name | [1-[[2-[2-[[4,5-bis(trimethylsilyl)triazol-1-yl]methyl]phenyl]phenyl]methyl]-5-trimethylsilyltriazol-4-yl]-trimethylsilane |
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| PubChem CID | 102525658 |
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| Molecular Formula | C30H48N6Si4 |
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| Molecular Weight | 605.10 g/mol |
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| Exact Mass | 604.30 |
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| IUPAC Name | [1-[[2-[2-[[4,5-bis(trimethylsilyl)triazol-1-yl]methyl]phenyl]phenyl]methyl]-5-trimethylsilyltriazol-4-yl]-trimethylsilane |
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| SMILES | C[Si](C)(C)c1nnn(Cc2ccccc2-c2ccccc2Cn2nnc([Si](C)(C)C)c2[Si](C)(C)C)c1[Si](C)(C)C |
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| InChI | InChI=1S/C30H48N6Si4/c1-37(2,3)27-29(39(7,8)9)35(33-31-27)21-23-17-13-15-19-25(23)26-20-16-14-18-24(26)22-36-30(40(10,11)12)28(32-34-36)38(4,5)6/h13-20H,21-22H2,1-12H3 |
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| InChIKey | PFQVCPLVUGHQLY-UHFFFAOYSA-N |
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| XLogP | 4.81 |
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| TPSA | 61.42 Ų |
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| H-Bond Donors | |
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| H-Bond Acceptors | 6 |
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| Rotatable Bonds | 9 |
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| Heavy Atoms | 40 |
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| Complexity | — |
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Lipinski Rule of Five
1 violation
| Rule | Value |
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| MW ≤ 500 | 605.10 |
| LogP ≤ 5 | 4.81 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 6 |
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 [1-[[2-[2-[[4,5-bis(trimethylsilyl)triazol-1-yl]methyl]phenyl]phenyl]methyl]-5-trimethylsilyltriazol-4-yl]-trimethylsilane?
The IUPAC name of [1-[[2-[2-[[4,5-bis(trimethylsilyl)triazol-1-yl]methyl]phenyl]phenyl]methyl]-5-trimethylsilyltriazol-4-yl]-trimethylsilane (CID 102525658) is [1-[[2-[2-[[4,5-bis(trimethylsilyl)triazol-1-yl]methyl]phenyl]phenyl]methyl]-5-trimethylsilyltriazol-4-yl]-trimethylsilane.
What is the SMILES notation for [1-[[2-[2-[[4,5-bis(trimethylsilyl)triazol-1-yl]methyl]phenyl]phenyl]methyl]-5-trimethylsilyltriazol-4-yl]-trimethylsilane?
The canonical SMILES for [1-[[2-[2-[[4,5-bis(trimethylsilyl)triazol-1-yl]methyl]phenyl]phenyl]methyl]-5-trimethylsilyltriazol-4-yl]-trimethylsilane is C[Si](C)(C)c1nnn(Cc2ccccc2-c2ccccc2Cn2nnc([Si](C)(C)C)c2[Si](C)(C)C)c1[Si](C)(C)C.
What is the InChIKey of [1-[[2-[2-[[4,5-bis(trimethylsilyl)triazol-1-yl]methyl]phenyl]phenyl]methyl]-5-trimethylsilyltriazol-4-yl]-trimethylsilane?
The InChIKey is PFQVCPLVUGHQLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H48N6Si4/c1-37(2,3)27-29(39(7,8)9)35(33-31-27)21-23-17-13-15-19-25(23)26-20-16-14-18-24(26)22-36-30(40(10,11)12)28(32-34-36)38(4,5)6/h13-20H,21-22H2,1-12H3.
What are the key properties of [1-[[2-[2-[[4,5-bis(trimethylsilyl)triazol-1-yl]methyl]phenyl]phenyl]methyl]-5-trimethylsilyltriazol-4-yl]-trimethylsilane?
[1-[[2-[2-[[4,5-bis(trimethylsilyl)triazol-1-yl]methyl]phenyl]phenyl]methyl]-5-trimethylsilyltriazol-4-yl]-trimethylsilane has a molecular weight of 605.10 g/mol, XLogP of 4.81, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[[2-[2-[[4,5-bis(trimethylsilyl)triazol-1-yl]methyl]phenyl]phenyl]methyl]-5-trimethylsilyltriazol-4-yl]-trimethylsilane is sourced from PubChem (CID 102525658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).