About diethylamino-tris[[tris(diethylamino)-λ5-phosphanylidene]amino]phosphanium tetrafluoroborate
diethylamino-tris[[tris(diethylamino)-λ5-phosphanylidene]amino]phosphanium tetrafluoroborate (PubChem CID 22336018) has the molecular formula C40H100BF4N13P4
and a molecular weight of 974.03 g/mol. Its IUPAC name is diethylamino-tris[[tris(diethylamino)-λ5-phosphanylidene]amino]phosphanium tetrafluoroborate.
Molecular Properties
| Compound Name | diethylamino-tris[[tris(diethylamino)-λ5-phosphanylidene]amino]phosphanium tetrafluoroborate |
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| PubChem CID | 22336018 |
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| Molecular Formula | C40H100BF4N13P4 |
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| Molecular Weight | 974.03 g/mol |
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| Exact Mass | 973.72 |
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| IUPAC Name | diethylamino-tris[[tris(diethylamino)-λ5-phosphanylidene]amino]phosphanium tetrafluoroborate |
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| SMILES | CCN(CC)P(=N[P+](N=P(N(CC)CC)(N(CC)CC)N(CC)CC)(N=P(N(CC)CC)(N(CC)CC)N(CC)CC)N(CC)CC)(N(CC)CC)N(CC)CC.F[B-](F)(F)F |
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| InChI | InChI=1S/C40H100N13P4.BF4/c1-21-44(22-2)54(41-55(45(23-3)24-4,46(25-5)26-6)47(27-7)28-8,42-56(48(29-9)30-10,49(31-11)32-12)50(33-13)34-14)43-57(51(35-15)36-16,52(37-17)38-18)53(39-19)40-20;2-1(3,4)5/h21-40H2,1-20H3;/q+1;-1 |
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| InChIKey | ZYUFOIREUBXCTJ-UHFFFAOYSA-N |
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| XLogP | 13.22 |
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| TPSA | 69.48 Ų |
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| H-Bond Donors | |
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| H-Bond Acceptors | 4 |
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| Rotatable Bonds | 33 |
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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 | 974.03 |
| LogP ≤ 5 | 13.22 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 4 |
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 diethylamino-tris[[tris(diethylamino)-λ5-phosphanylidene]amino]phosphanium tetrafluoroborate?
The IUPAC name of diethylamino-tris[[tris(diethylamino)-λ5-phosphanylidene]amino]phosphanium tetrafluoroborate (CID 22336018) is diethylamino-tris[[tris(diethylamino)-λ5-phosphanylidene]amino]phosphanium tetrafluoroborate.
What is the SMILES notation for diethylamino-tris[[tris(diethylamino)-λ5-phosphanylidene]amino]phosphanium tetrafluoroborate?
The canonical SMILES for diethylamino-tris[[tris(diethylamino)-λ5-phosphanylidene]amino]phosphanium tetrafluoroborate is CCN(CC)P(=N[P+](N=P(N(CC)CC)(N(CC)CC)N(CC)CC)(N=P(N(CC)CC)(N(CC)CC)N(CC)CC)N(CC)CC)(N(CC)CC)N(CC)CC.F[B-](F)(F)F.
What is the InChIKey of diethylamino-tris[[tris(diethylamino)-λ5-phosphanylidene]amino]phosphanium tetrafluoroborate?
The InChIKey is ZYUFOIREUBXCTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H100N13P4.BF4/c1-21-44(22-2)54(41-55(45(23-3)24-4,46(25-5)26-6)47(27-7)28-8,42-56(48(29-9)30-10,49(31-11)32-12)50(33-13)34-14)43-57(51(35-15)36-16,52(37-17)38-18)53(39-19)40-20;2-1(3,4)5/h21-40H2,1-20H3;/q+1;-1.
What are the key properties of diethylamino-tris[[tris(diethylamino)-λ5-phosphanylidene]amino]phosphanium tetrafluoroborate?
diethylamino-tris[[tris(diethylamino)-λ5-phosphanylidene]amino]phosphanium tetrafluoroborate has a molecular weight of 974.03 g/mol, XLogP of 13.22, 33 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for diethylamino-tris[[tris(diethylamino)-λ5-phosphanylidene]amino]phosphanium tetrafluoroborate is sourced from PubChem (CID 22336018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).