About iron(3+);bis(quinolin-8-yl-[2-(trifluoromethyl)phenanthridin-4-yl]azanide);hexafluorophosphate
iron(3+);bis(quinolin-8-yl-[2-(trifluoromethyl)phenanthridin-4-yl]azanide);hexafluorophosphate (PubChem CID 139033651) has the molecular formula C46H26F12FeN6P
and a molecular weight of 977.55 g/mol. Its IUPAC name is iron(3+);bis(quinolin-8-yl-[2-(trifluoromethyl)phenanthridin-4-yl]azanide);hexafluorophosphate.
Molecular Properties
| Compound Name | iron(3+);bis(quinolin-8-yl-[2-(trifluoromethyl)phenanthridin-4-yl]azanide);hexafluorophosphate |
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| PubChem CID | 139033651 |
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| Molecular Formula | C46H26F12FeN6P |
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| Molecular Weight | 977.55 g/mol |
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| Exact Mass | 977.11 |
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| IUPAC Name | iron(3+);bis(quinolin-8-yl-[2-(trifluoromethyl)phenanthridin-4-yl]azanide);hexafluorophosphate |
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| SMILES | FC(F)(F)c1cc([N-]c2cccc3cccnc23)c2ncc3ccccc3c2c1.FC(F)(F)c1cc([N-]c2cccc3cccnc23)c2ncc3ccccc3c2c1.F[P-](F)(F)(F)(F)F.[Fe+3] |
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| InChI | InChI=1S/2C23H13F3N3.F6P.Fe/c2*24-23(25,26)16-11-18-17-8-2-1-5-15(17)13-28-22(18)20(12-16)29-19-9-3-6-14-7-4-10-27-21(14)19;1-7(2,3,4,5)6;/h2*1-13H;;/q3*-1;+3 |
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| InChIKey | VBDBMZJFSDMZBZ-UHFFFAOYSA-N |
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| XLogP | 17.96 |
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| TPSA | 79.76 Ų |
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| H-Bond Donors | |
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| H-Bond Acceptors | 4 |
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| Rotatable Bonds | 4 |
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| Heavy Atoms | 66 |
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| Complexity | — |
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Lipinski Rule of Five
2 violations
| Rule | Value |
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| MW ≤ 500 | 977.55 |
| LogP ≤ 5 | 17.96 |
| 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'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'} |
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Frequently Asked Questions
What is the IUPAC name of iron(3+);bis(quinolin-8-yl-[2-(trifluoromethyl)phenanthridin-4-yl]azanide);hexafluorophosphate?
The IUPAC name of iron(3+);bis(quinolin-8-yl-[2-(trifluoromethyl)phenanthridin-4-yl]azanide);hexafluorophosphate (CID 139033651) is iron(3+);bis(quinolin-8-yl-[2-(trifluoromethyl)phenanthridin-4-yl]azanide);hexafluorophosphate.
What is the SMILES notation for iron(3+);bis(quinolin-8-yl-[2-(trifluoromethyl)phenanthridin-4-yl]azanide);hexafluorophosphate?
The canonical SMILES for iron(3+);bis(quinolin-8-yl-[2-(trifluoromethyl)phenanthridin-4-yl]azanide);hexafluorophosphate is FC(F)(F)c1cc([N-]c2cccc3cccnc23)c2ncc3ccccc3c2c1.FC(F)(F)c1cc([N-]c2cccc3cccnc23)c2ncc3ccccc3c2c1.F[P-](F)(F)(F)(F)F.[Fe+3].
What is the InChIKey of iron(3+);bis(quinolin-8-yl-[2-(trifluoromethyl)phenanthridin-4-yl]azanide);hexafluorophosphate?
The InChIKey is VBDBMZJFSDMZBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/2C23H13F3N3.F6P.Fe/c2*24-23(25,26)16-11-18-17-8-2-1-5-15(17)13-28-22(18)20(12-16)29-19-9-3-6-14-7-4-10-27-21(14)19;1-7(2,3,4,5)6;/h2*1-13H;;/q3*-1;+3.
What are the key properties of iron(3+);bis(quinolin-8-yl-[2-(trifluoromethyl)phenanthridin-4-yl]azanide);hexafluorophosphate?
iron(3+);bis(quinolin-8-yl-[2-(trifluoromethyl)phenanthridin-4-yl]azanide);hexafluorophosphate has a molecular weight of 977.55 g/mol, XLogP of 17.96, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for iron(3+);bis(quinolin-8-yl-[2-(trifluoromethyl)phenanthridin-4-yl]azanide);hexafluorophosphate is sourced from PubChem (CID 139033651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).