About tris(copper(1+));tris(2-(3-pyridin-2-yl-2H-imidazol-1-ium-2-id-1-yl)pyridine);trihexafluorophosphate
tris(copper(1+));tris(2-(3-pyridin-2-yl-2H-imidazol-1-ium-2-id-1-yl)pyridine);trihexafluorophosphate (PubChem CID 139181728) has the molecular formula C39H30Cu3F18N12P3
and a molecular weight of 1292.28 g/mol. Its IUPAC name is tris(copper(1+));tris(2-(3-pyridin-2-yl-2H-imidazol-1-ium-2-id-1-yl)pyridine);trihexafluorophosphate.
Molecular Properties
| Compound Name | tris(copper(1+));tris(2-(3-pyridin-2-yl-2H-imidazol-1-ium-2-id-1-yl)pyridine);trihexafluorophosphate |
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| PubChem CID | 139181728 |
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| Molecular Formula | C39H30Cu3F18N12P3 |
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| Molecular Weight | 1292.28 g/mol |
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| Exact Mass | 1289.95 |
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| IUPAC Name | tris(copper(1+));tris(2-(3-pyridin-2-yl-2H-imidazol-1-ium-2-id-1-yl)pyridine);trihexafluorophosphate |
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| SMILES | F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.[Cu+].[Cu+].[Cu+].[c-]1n(-c2ccccn2)cc[n+]1-c1ccccn1.[c-]1n(-c2ccccn2)cc[n+]1-c1ccccn1.[c-]1n(-c2ccccn2)cc[n+]1-c1ccccn1 |
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| InChI | InChI=1S/3C13H10N4.3Cu.3F6P/c3*1-3-7-14-12(5-1)16-9-10-17(11-16)13-6-2-4-8-15-13;;;;3*1-7(2,3,4,5)6/h3*1-10H;;;;;;/q;;;3*+1;3*-1 |
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| InChIKey | GAGRNBRZEBSRCA-UHFFFAOYSA-N |
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| XLogP | 14.17 |
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| TPSA | 103.77 Ų |
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| H-Bond Donors | |
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| H-Bond Acceptors | 9 |
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| Rotatable Bonds | 6 |
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| Heavy Atoms | 75 |
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| Complexity | — |
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Lipinski Rule of Five
2 violations
| Rule | Value |
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| MW ≤ 500 | 1292.28 |
| LogP ≤ 5 | 14.17 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 9 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'} |
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Frequently Asked Questions
What is the IUPAC name of tris(copper(1+));tris(2-(3-pyridin-2-yl-2H-imidazol-1-ium-2-id-1-yl)pyridine);trihexafluorophosphate?
The IUPAC name of tris(copper(1+));tris(2-(3-pyridin-2-yl-2H-imidazol-1-ium-2-id-1-yl)pyridine);trihexafluorophosphate (CID 139181728) is tris(copper(1+));tris(2-(3-pyridin-2-yl-2H-imidazol-1-ium-2-id-1-yl)pyridine);trihexafluorophosphate.
What is the SMILES notation for tris(copper(1+));tris(2-(3-pyridin-2-yl-2H-imidazol-1-ium-2-id-1-yl)pyridine);trihexafluorophosphate?
The canonical SMILES for tris(copper(1+));tris(2-(3-pyridin-2-yl-2H-imidazol-1-ium-2-id-1-yl)pyridine);trihexafluorophosphate is F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.[Cu+].[Cu+].[Cu+].[c-]1n(-c2ccccn2)cc[n+]1-c1ccccn1.[c-]1n(-c2ccccn2)cc[n+]1-c1ccccn1.[c-]1n(-c2ccccn2)cc[n+]1-c1ccccn1.
What is the InChIKey of tris(copper(1+));tris(2-(3-pyridin-2-yl-2H-imidazol-1-ium-2-id-1-yl)pyridine);trihexafluorophosphate?
The InChIKey is GAGRNBRZEBSRCA-UHFFFAOYSA-N. The full InChI is InChI=1S/3C13H10N4.3Cu.3F6P/c3*1-3-7-14-12(5-1)16-9-10-17(11-16)13-6-2-4-8-15-13;;;;3*1-7(2,3,4,5)6/h3*1-10H;;;;;;/q;;;3*+1;3*-1.
What are the key properties of tris(copper(1+));tris(2-(3-pyridin-2-yl-2H-imidazol-1-ium-2-id-1-yl)pyridine);trihexafluorophosphate?
tris(copper(1+));tris(2-(3-pyridin-2-yl-2H-imidazol-1-ium-2-id-1-yl)pyridine);trihexafluorophosphate has a molecular weight of 1292.28 g/mol, XLogP of 14.17, 6 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for tris(copper(1+));tris(2-(3-pyridin-2-yl-2H-imidazol-1-ium-2-id-1-yl)pyridine);trihexafluorophosphate is sourced from PubChem (CID 139181728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).