About 2-(2,4-difluorobenzene-6-id-1-yl)-4-methylpyridine;tris(iridium);bis(2-phenylpyridine);platinum;2-[4-(trifluoromethyl)benzene-6-id-1-yl]pyridine
2-(2,4-difluorobenzene-6-id-1-yl)-4-methylpyridine;tris(iridium);bis(2-phenylpyridine);platinum;2-[4-(trifluoromethyl)benzene-6-id-1-yl]pyridine (PubChem CID 160923808) has the molecular formula C46H31F5Ir3N4Pt-4
and a molecular weight of 1506.50 g/mol. Its IUPAC name is 2-(2,4-difluorobenzene-6-id-1-yl)-4-methylpyridine;tris(iridium);bis(2-phenylpyridine);platinum;2-[4-(trifluoromethyl)benzene-6-id-1-yl]pyridine.
Molecular Properties
| Compound Name | 2-(2,4-difluorobenzene-6-id-1-yl)-4-methylpyridine;tris(iridium);bis(2-phenylpyridine);platinum;2-[4-(trifluoromethyl)benzene-6-id-1-yl]pyridine |
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| PubChem CID | 160923808 |
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| Molecular Formula | C46H31F5Ir3N4Pt-4 |
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| Molecular Weight | 1506.50 g/mol |
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| Exact Mass | 1508.10 |
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| IUPAC Name | 2-(2,4-difluorobenzene-6-id-1-yl)-4-methylpyridine;tris(iridium);bis(2-phenylpyridine);platinum;2-[4-(trifluoromethyl)benzene-6-id-1-yl]pyridine |
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| SMILES | Cc1ccnc(-c2[c-]cc(F)cc2F)c1.FC(F)(F)c1c[c-]c(-c2ccccn2)cc1.[Ir].[Ir].[Ir].[Pt].[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1ccccn1 |
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| InChI | InChI=1S/C12H7F3N.C12H8F2N.2C11H8N.3Ir.Pt/c13-12(14,15)10-6-4-9(5-7-10)11-3-1-2-8-16-11;1-8-4-5-15-12(6-8)10-3-2-9(13)7-11(10)14;2*1-2-6-10(7-3-1)11-8-4-5-9-12-11;;;;/h1-4,6-8H;2,4-7H,1H3;2*1-6,8-9H;;;;/q4*-1;;;; |
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| InChIKey | GIXYQXDPYXSCOA-UHFFFAOYSA-N |
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| XLogP | 11.79 |
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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 | 4 |
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| Heavy Atoms | 59 |
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| Complexity | — |
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Lipinski Rule of Five
2 violations
| Rule | Value |
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| MW ≤ 500 | 1506.50 |
| LogP ≤ 5 | 11.79 |
| 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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Analyze 2-(2,4-difluorobenzene-6-id-1-yl)-4-methylpyridine;tris(iridium);bis(2-phenylpyridine);platinum;2-[4-(trifluoromethyl)benzene-6-id-1-yl]pyridine with MolForge
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Frequently Asked Questions
What is the IUPAC name of 2-(2,4-difluorobenzene-6-id-1-yl)-4-methylpyridine;tris(iridium);bis(2-phenylpyridine);platinum;2-[4-(trifluoromethyl)benzene-6-id-1-yl]pyridine?
The IUPAC name of 2-(2,4-difluorobenzene-6-id-1-yl)-4-methylpyridine;tris(iridium);bis(2-phenylpyridine);platinum;2-[4-(trifluoromethyl)benzene-6-id-1-yl]pyridine (CID 160923808) is 2-(2,4-difluorobenzene-6-id-1-yl)-4-methylpyridine;tris(iridium);bis(2-phenylpyridine);platinum;2-[4-(trifluoromethyl)benzene-6-id-1-yl]pyridine.
What is the SMILES notation for 2-(2,4-difluorobenzene-6-id-1-yl)-4-methylpyridine;tris(iridium);bis(2-phenylpyridine);platinum;2-[4-(trifluoromethyl)benzene-6-id-1-yl]pyridine?
The canonical SMILES for 2-(2,4-difluorobenzene-6-id-1-yl)-4-methylpyridine;tris(iridium);bis(2-phenylpyridine);platinum;2-[4-(trifluoromethyl)benzene-6-id-1-yl]pyridine is Cc1ccnc(-c2[c-]cc(F)cc2F)c1.FC(F)(F)c1c[c-]c(-c2ccccn2)cc1.[Ir].[Ir].[Ir].[Pt].[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1ccccn1.
What is the InChIKey of 2-(2,4-difluorobenzene-6-id-1-yl)-4-methylpyridine;tris(iridium);bis(2-phenylpyridine);platinum;2-[4-(trifluoromethyl)benzene-6-id-1-yl]pyridine?
The InChIKey is GIXYQXDPYXSCOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7F3N.C12H8F2N.2C11H8N.3Ir.Pt/c13-12(14,15)10-6-4-9(5-7-10)11-3-1-2-8-16-11;1-8-4-5-15-12(6-8)10-3-2-9(13)7-11(10)14;2*1-2-6-10(7-3-1)11-8-4-5-9-12-11;;;;/h1-4,6-8H;2,4-7H,1H3;2*1-6,8-9H;;;;/q4*-1;;;;.
What are the key properties of 2-(2,4-difluorobenzene-6-id-1-yl)-4-methylpyridine;tris(iridium);bis(2-phenylpyridine);platinum;2-[4-(trifluoromethyl)benzene-6-id-1-yl]pyridine?
2-(2,4-difluorobenzene-6-id-1-yl)-4-methylpyridine;tris(iridium);bis(2-phenylpyridine);platinum;2-[4-(trifluoromethyl)benzene-6-id-1-yl]pyridine has a molecular weight of 1506.50 g/mol, XLogP of 11.79, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-difluorobenzene-6-id-1-yl)-4-methylpyridine;tris(iridium);bis(2-phenylpyridine);platinum;2-[4-(trifluoromethyl)benzene-6-id-1-yl]pyridine is sourced from PubChem (CID 160923808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).