About CID 173222132
CID 173222132 (PubChem CID 173222132) has the molecular formula C54H58Cl2Hf2N2Si2-6
and a molecular weight of 1219.13 g/mol.
Molecular Properties
| Compound Name | CID 173222132 |
|---|
| PubChem CID | 173222132 |
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| Molecular Formula | C54H58Cl2Hf2N2Si2-6 |
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| Molecular Weight | 1219.13 g/mol |
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| Exact Mass | 1220.25 |
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| IUPAC Name | — |
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| SMILES | [Cl-].[Cl-].[Hf].[Hf].[NH-]C1CCCCC1.[NH-]C1CCCCC1.c1ccc([Si]c2ccccc2)cc1.c1ccc([Si]c2ccccc2)cc1.c1ccc2[cH-]ccc2c1.c1ccc2[cH-]ccc2c1 |
|---|
| InChI | InChI=1S/2C12H10Si.2C9H7.2C6H12N.2ClH.2Hf/c2*1-3-7-11(8-4-1)13-12-9-5-2-6-10-12;2*1-2-5-9-7-3-6-8(9)4-1;2*7-6-4-2-1-3-5-6;;;;/h2*1-10H;2*1-7H;2*6-7H,1-5H2;2*1H;;/q;;4*-1;;;;/p-2 |
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| InChIKey | NAZATRLPWRURGC-UHFFFAOYSA-L |
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| XLogP | 6.55 |
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| TPSA | 47.60 Ų |
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| H-Bond Donors | |
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| H-Bond Acceptors | |
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| Rotatable Bonds | 4 |
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| Heavy Atoms | 62 |
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| Complexity | — |
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Lipinski Rule of Five
2 violations
| Rule | Value |
|---|
| MW ≤ 500 | 1219.13 |
| LogP ≤ 5 | 6.55 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 0 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'} |
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Frequently Asked Questions
What is the IUPAC name of CID 173222132?
The IUPAC name of CID 173222132 (CID 173222132) is not available.
What is the SMILES notation for CID 173222132?
The canonical SMILES for CID 173222132 is [Cl-].[Cl-].[Hf].[Hf].[NH-]C1CCCCC1.[NH-]C1CCCCC1.c1ccc([Si]c2ccccc2)cc1.c1ccc([Si]c2ccccc2)cc1.c1ccc2[cH-]ccc2c1.c1ccc2[cH-]ccc2c1.
What is the InChIKey of CID 173222132?
The InChIKey is NAZATRLPWRURGC-UHFFFAOYSA-L. The full InChI is InChI=1S/2C12H10Si.2C9H7.2C6H12N.2ClH.2Hf/c2*1-3-7-11(8-4-1)13-12-9-5-2-6-10-12;2*1-2-5-9-7-3-6-8(9)4-1;2*7-6-4-2-1-3-5-6;;;;/h2*1-10H;2*1-7H;2*6-7H,1-5H2;2*1H;;/q;;4*-1;;;;/p-2.
What are the key properties of CID 173222132?
CID 173222132 has a molecular weight of 1219.13 g/mol, XLogP of 6.55, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 173222132 is sourced from PubChem (CID 173222132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).