About [[[bromo-bis(dimethylamino)-λ5-phosphanylidene]amino]-bis(dimethylamino)-λ5-phosphanylidene]-dimethylazanium bromide
[[[bromo-bis(dimethylamino)-λ5-phosphanylidene]amino]-bis(dimethylamino)-λ5-phosphanylidene]-dimethylazanium bromide (PubChem CID 139184432) has the molecular formula C10H30Br2N6P2
and a molecular weight of 456.15 g/mol. Its IUPAC name is [[[bromo-bis(dimethylamino)-λ5-phosphanylidene]amino]-bis(dimethylamino)-λ5-phosphanylidene]-dimethylazanium bromide.
Molecular Properties
| Compound Name | [[[bromo-bis(dimethylamino)-λ5-phosphanylidene]amino]-bis(dimethylamino)-λ5-phosphanylidene]-dimethylazanium bromide |
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| PubChem CID | 139184432 |
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| Molecular Formula | C10H30Br2N6P2 |
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| Molecular Weight | 456.15 g/mol |
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| Exact Mass | 454.04 |
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| IUPAC Name | [[[bromo-bis(dimethylamino)-λ5-phosphanylidene]amino]-bis(dimethylamino)-λ5-phosphanylidene]-dimethylazanium bromide |
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| SMILES | CN(C)P(Br)(=NP(N(C)C)(N(C)C)=[N+](C)C)N(C)C.[Br-] |
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| InChI | InChI=1S/C10H30BrN6P2.BrH/c1-13(2)18(11,14(3)4)12-19(15(5)6,16(7)8)17(9)10;/h1-10H3;1H/q+1;/p-1 |
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| InChIKey | LWRAXBBCRPMOBK-UHFFFAOYSA-M |
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| XLogP | -0.20 |
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| TPSA | 28.33 Ų |
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| H-Bond Donors | |
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| H-Bond Acceptors | |
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| Rotatable Bonds | 5 |
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| Heavy Atoms | 20 |
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| Complexity | — |
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Lipinski Rule of Five
Passes Rule of Five
| Rule | Value |
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| MW ≤ 500 | 456.15 |
| LogP ≤ 5 | -0.20 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 0 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'phosphor', 'substructure': 'N/A'} |
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Frequently Asked Questions
What is the IUPAC name of [[[bromo-bis(dimethylamino)-λ5-phosphanylidene]amino]-bis(dimethylamino)-λ5-phosphanylidene]-dimethylazanium bromide?
The IUPAC name of [[[bromo-bis(dimethylamino)-λ5-phosphanylidene]amino]-bis(dimethylamino)-λ5-phosphanylidene]-dimethylazanium bromide (CID 139184432) is [[[bromo-bis(dimethylamino)-λ5-phosphanylidene]amino]-bis(dimethylamino)-λ5-phosphanylidene]-dimethylazanium bromide.
What is the SMILES notation for [[[bromo-bis(dimethylamino)-λ5-phosphanylidene]amino]-bis(dimethylamino)-λ5-phosphanylidene]-dimethylazanium bromide?
The canonical SMILES for [[[bromo-bis(dimethylamino)-λ5-phosphanylidene]amino]-bis(dimethylamino)-λ5-phosphanylidene]-dimethylazanium bromide is CN(C)P(Br)(=NP(N(C)C)(N(C)C)=[N+](C)C)N(C)C.[Br-].
What is the InChIKey of [[[bromo-bis(dimethylamino)-λ5-phosphanylidene]amino]-bis(dimethylamino)-λ5-phosphanylidene]-dimethylazanium bromide?
The InChIKey is LWRAXBBCRPMOBK-UHFFFAOYSA-M. The full InChI is InChI=1S/C10H30BrN6P2.BrH/c1-13(2)18(11,14(3)4)12-19(15(5)6,16(7)8)17(9)10;/h1-10H3;1H/q+1;/p-1.
What are the key properties of [[[bromo-bis(dimethylamino)-λ5-phosphanylidene]amino]-bis(dimethylamino)-λ5-phosphanylidene]-dimethylazanium bromide?
[[[bromo-bis(dimethylamino)-λ5-phosphanylidene]amino]-bis(dimethylamino)-λ5-phosphanylidene]-dimethylazanium bromide has a molecular weight of 456.15 g/mol, XLogP of -0.20, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [[[bromo-bis(dimethylamino)-λ5-phosphanylidene]amino]-bis(dimethylamino)-λ5-phosphanylidene]-dimethylazanium bromide is sourced from PubChem (CID 139184432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).