About N-bis(3-tributylsilylphenyl)phosphanyl-N-bis(4-tributylsilylphenyl)phosphanylcyclooctanamine
N-bis(3-tributylsilylphenyl)phosphanyl-N-bis(4-tributylsilylphenyl)phosphanylcyclooctanamine (PubChem CID 171491210) has the molecular formula C80H139NP2Si4
and a molecular weight of 1289.29 g/mol. Its IUPAC name is N-bis(3-tributylsilylphenyl)phosphanyl-N-bis(4-tributylsilylphenyl)phosphanylcyclooctanamine.
Molecular Properties
| Compound Name | N-bis(3-tributylsilylphenyl)phosphanyl-N-bis(4-tributylsilylphenyl)phosphanylcyclooctanamine |
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| PubChem CID | 171491210 |
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| Molecular Formula | C80H139NP2Si4 |
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| Molecular Weight | 1289.29 g/mol |
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| Exact Mass | 1287.95 |
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| IUPAC Name | N-bis(3-tributylsilylphenyl)phosphanyl-N-bis(4-tributylsilylphenyl)phosphanylcyclooctanamine |
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| SMILES | CCCC[Si](CCCC)(CCCC)c1ccc(P(c2ccc([Si](CCCC)(CCCC)CCCC)cc2)N(C2CCCCCCC2)P(c2cccc([Si](CCCC)(CCCC)CCCC)c2)c2cccc([Si](CCCC)(CCCC)CCCC)c2)cc1 |
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| InChI | InChI=1S/C80H139NP2Si4/c1-13-25-58-84(59-26-14-2,60-27-15-3)77-54-50-73(51-55-77)82(74-52-56-78(57-53-74)85(61-28-16-4,62-29-17-5)63-30-18-6)81(72-44-40-38-37-39-41-45-72)83(75-46-42-48-79(70-75)86(64-31-19-7,65-32-20-8)66-33-21-9)76-47-43-49-80(71-76)87(67-34-22-10,68-35-23-11)69-36-24-12/h42-43,46-57,70-72H,13-41,44-45,58-69H2,1-12H3 |
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| InChIKey | QZSYVXCTYZONOD-UHFFFAOYSA-N |
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| XLogP | 23.72 |
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| TPSA | 3.24 Ų |
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| H-Bond Donors | |
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| H-Bond Acceptors | 1 |
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| Rotatable Bonds | 47 |
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| Heavy Atoms | 87 |
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| Complexity | — |
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Lipinski Rule of Five
2 violations
| Rule | Value |
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| MW ≤ 500 | 1289.29 |
| LogP ≤ 5 | 23.72 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 1 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'} |
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Frequently Asked Questions
What is the IUPAC name of N-bis(3-tributylsilylphenyl)phosphanyl-N-bis(4-tributylsilylphenyl)phosphanylcyclooctanamine?
The IUPAC name of N-bis(3-tributylsilylphenyl)phosphanyl-N-bis(4-tributylsilylphenyl)phosphanylcyclooctanamine (CID 171491210) is N-bis(3-tributylsilylphenyl)phosphanyl-N-bis(4-tributylsilylphenyl)phosphanylcyclooctanamine.
What is the SMILES notation for N-bis(3-tributylsilylphenyl)phosphanyl-N-bis(4-tributylsilylphenyl)phosphanylcyclooctanamine?
The canonical SMILES for N-bis(3-tributylsilylphenyl)phosphanyl-N-bis(4-tributylsilylphenyl)phosphanylcyclooctanamine is CCCC[Si](CCCC)(CCCC)c1ccc(P(c2ccc([Si](CCCC)(CCCC)CCCC)cc2)N(C2CCCCCCC2)P(c2cccc([Si](CCCC)(CCCC)CCCC)c2)c2cccc([Si](CCCC)(CCCC)CCCC)c2)cc1.
What is the InChIKey of N-bis(3-tributylsilylphenyl)phosphanyl-N-bis(4-tributylsilylphenyl)phosphanylcyclooctanamine?
The InChIKey is QZSYVXCTYZONOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C80H139NP2Si4/c1-13-25-58-84(59-26-14-2,60-27-15-3)77-54-50-73(51-55-77)82(74-52-56-78(57-53-74)85(61-28-16-4,62-29-17-5)63-30-18-6)81(72-44-40-38-37-39-41-45-72)83(75-46-42-48-79(70-75)86(64-31-19-7,65-32-20-8)66-33-21-9)76-47-43-49-80(71-76)87(67-34-22-10,68-35-23-11)69-36-24-12/h42-43,46-57,70-72H,13-41,44-45,58-69H2,1-12H3.
What are the key properties of N-bis(3-tributylsilylphenyl)phosphanyl-N-bis(4-tributylsilylphenyl)phosphanylcyclooctanamine?
N-bis(3-tributylsilylphenyl)phosphanyl-N-bis(4-tributylsilylphenyl)phosphanylcyclooctanamine has a molecular weight of 1289.29 g/mol, XLogP of 23.72, 47 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-bis(3-tributylsilylphenyl)phosphanyl-N-bis(4-tributylsilylphenyl)phosphanylcyclooctanamine is sourced from PubChem (CID 171491210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).