About bis(2-(2,4-difluorobenzene-6-id-1-yl)pyridine);iridium(3+);4-(trifluoromethyl)-2-[4-(trifluoromethyl)-2-pyridinyl]pyridine
bis(2-(2,4-difluorobenzene-6-id-1-yl)pyridine);iridium(3+);4-(trifluoromethyl)-2-[4-(trifluoromethyl)-2-pyridinyl]pyridine (PubChem CID 162394371) has the molecular formula C34H18F10IrN4+
and a molecular weight of 864.74 g/mol. Its IUPAC name is bis(2-(2,4-difluorobenzene-6-id-1-yl)pyridine);iridium(3+);4-(trifluoromethyl)-2-[4-(trifluoromethyl)-2-pyridinyl]pyridine.
Molecular Properties
| Compound Name | bis(2-(2,4-difluorobenzene-6-id-1-yl)pyridine);iridium(3+);4-(trifluoromethyl)-2-[4-(trifluoromethyl)-2-pyridinyl]pyridine |
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| PubChem CID | 162394371 |
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| Molecular Formula | C34H18F10IrN4+ |
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| Molecular Weight | 864.74 g/mol |
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| Exact Mass | 865.10 |
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| IUPAC Name | bis(2-(2,4-difluorobenzene-6-id-1-yl)pyridine);iridium(3+);4-(trifluoromethyl)-2-[4-(trifluoromethyl)-2-pyridinyl]pyridine |
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| SMILES | FC(F)(F)c1ccnc(-c2cc(C(F)(F)F)ccn2)c1.Fc1c[c-]c(-c2ccccn2)c(F)c1.Fc1c[c-]c(-c2ccccn2)c(F)c1.[Ir+3] |
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| InChI | InChI=1S/C12H6F6N2.2C11H6F2N.Ir/c13-11(14,15)7-1-3-19-9(5-7)10-6-8(2-4-20-10)12(16,17)18;2*12-8-4-5-9(10(13)7-8)11-3-1-2-6-14-11;/h1-6H;2*1-4,6-7H;/q;2*-1;+3 |
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| InChIKey | QRVMGONWDKBGEI-UHFFFAOYSA-N |
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| XLogP | 9.83 |
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| TPSA | 51.56 Ų |
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| H-Bond Donors | |
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| H-Bond Acceptors | 4 |
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| Rotatable Bonds | 3 |
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| Heavy Atoms | 49 |
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| Complexity | — |
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Lipinski Rule of Five
2 violations
| Rule | Value |
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| MW ≤ 500 | 864.74 |
| LogP ≤ 5 | 9.83 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 4 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'} |
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Frequently Asked Questions
What is the IUPAC name of bis(2-(2,4-difluorobenzene-6-id-1-yl)pyridine);iridium(3+);4-(trifluoromethyl)-2-[4-(trifluoromethyl)-2-pyridinyl]pyridine?
The IUPAC name of bis(2-(2,4-difluorobenzene-6-id-1-yl)pyridine);iridium(3+);4-(trifluoromethyl)-2-[4-(trifluoromethyl)-2-pyridinyl]pyridine (CID 162394371) is bis(2-(2,4-difluorobenzene-6-id-1-yl)pyridine);iridium(3+);4-(trifluoromethyl)-2-[4-(trifluoromethyl)-2-pyridinyl]pyridine.
What is the SMILES notation for bis(2-(2,4-difluorobenzene-6-id-1-yl)pyridine);iridium(3+);4-(trifluoromethyl)-2-[4-(trifluoromethyl)-2-pyridinyl]pyridine?
The canonical SMILES for bis(2-(2,4-difluorobenzene-6-id-1-yl)pyridine);iridium(3+);4-(trifluoromethyl)-2-[4-(trifluoromethyl)-2-pyridinyl]pyridine is FC(F)(F)c1ccnc(-c2cc(C(F)(F)F)ccn2)c1.Fc1c[c-]c(-c2ccccn2)c(F)c1.Fc1c[c-]c(-c2ccccn2)c(F)c1.[Ir+3].
What is the InChIKey of bis(2-(2,4-difluorobenzene-6-id-1-yl)pyridine);iridium(3+);4-(trifluoromethyl)-2-[4-(trifluoromethyl)-2-pyridinyl]pyridine?
The InChIKey is QRVMGONWDKBGEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H6F6N2.2C11H6F2N.Ir/c13-11(14,15)7-1-3-19-9(5-7)10-6-8(2-4-20-10)12(16,17)18;2*12-8-4-5-9(10(13)7-8)11-3-1-2-6-14-11;/h1-6H;2*1-4,6-7H;/q;2*-1;+3.
What are the key properties of bis(2-(2,4-difluorobenzene-6-id-1-yl)pyridine);iridium(3+);4-(trifluoromethyl)-2-[4-(trifluoromethyl)-2-pyridinyl]pyridine?
bis(2-(2,4-difluorobenzene-6-id-1-yl)pyridine);iridium(3+);4-(trifluoromethyl)-2-[4-(trifluoromethyl)-2-pyridinyl]pyridine has a molecular weight of 864.74 g/mol, XLogP of 9.83, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for bis(2-(2,4-difluorobenzene-6-id-1-yl)pyridine);iridium(3+);4-(trifluoromethyl)-2-[4-(trifluoromethyl)-2-pyridinyl]pyridine is sourced from PubChem (CID 162394371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).