About 4-(4-ethylphenyl)-2-phenylpyridine;tetrakis(iridium);4-(4-methylphenyl)-2-phenylpyridine;tetrakis(5-methyl-2-phenylpyridine);4-phenyl-2-phenylpyridine;2-phenyl-4-(4-propan-2-ylphenyl)pyridine
4-(4-ethylphenyl)-2-phenylpyridine;tetrakis(iridium);4-(4-methylphenyl)-2-phenylpyridine;tetrakis(5-methyl-2-phenylpyridine);4-phenyl-2-phenylpyridine;2-phenyl-4-(4-propan-2-ylphenyl)pyridine (PubChem CID 157099535) has the molecular formula C122H100Ir4N8-8
and a molecular weight of 2447.07 g/mol. Its IUPAC name is 4-(4-ethylphenyl)-2-phenylpyridine;tetrakis(iridium);4-(4-methylphenyl)-2-phenylpyridine;tetrakis(5-methyl-2-phenylpyridine);4-phenyl-2-phenylpyridine;2-phenyl-4-(4-propan-2-ylphenyl)pyridine.
Molecular Properties
| Compound Name | 4-(4-ethylphenyl)-2-phenylpyridine;tetrakis(iridium);4-(4-methylphenyl)-2-phenylpyridine;tetrakis(5-methyl-2-phenylpyridine);4-phenyl-2-phenylpyridine;2-phenyl-4-(4-propan-2-ylphenyl)pyridine |
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| PubChem CID | 157099535 |
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| Molecular Formula | C122H100Ir4N8-8 |
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| Molecular Weight | 2447.07 g/mol |
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| Exact Mass | 2448.66 |
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| IUPAC Name | 4-(4-ethylphenyl)-2-phenylpyridine;tetrakis(iridium);4-(4-methylphenyl)-2-phenylpyridine;tetrakis(5-methyl-2-phenylpyridine);4-phenyl-2-phenylpyridine;2-phenyl-4-(4-propan-2-ylphenyl)pyridine |
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| SMILES | CC(C)c1ccc(-c2ccnc(-c3[c-]cccc3)c2)cc1.CCc1ccc(-c2ccnc(-c3[c-]cccc3)c2)cc1.Cc1ccc(-c2[c-]cccc2)nc1.Cc1ccc(-c2[c-]cccc2)nc1.Cc1ccc(-c2[c-]cccc2)nc1.Cc1ccc(-c2[c-]cccc2)nc1.Cc1ccc(-c2ccnc(-c3[c-]cccc3)c2)cc1.[Ir].[Ir].[Ir].[Ir].[c-]1ccccc1-c1cc(-c2ccccc2)ccn1 |
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| InChI | InChI=1S/C20H18N.C19H16N.C18H14N.C17H12N.4C12H10N.4Ir/c1-15(2)16-8-10-17(11-9-16)19-12-13-21-20(14-19)18-6-4-3-5-7-18;1-2-15-8-10-16(11-9-15)18-12-13-20-19(14-18)17-6-4-3-5-7-17;1-14-7-9-15(10-8-14)17-11-12-19-18(13-17)16-5-3-2-4-6-16;1-3-7-14(8-4-1)16-11-12-18-17(13-16)15-9-5-2-6-10-15;4*1-10-7-8-12(13-9-10)11-5-3-2-4-6-11;;;;/h3-6,8-15H,1-2H3;3-6,8-14H,2H2,1H3;2-5,7-13H,1H3;1-9,11-13H;4*2-5,7-9H,1H3;;;;/q8*-1;;;; |
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| InChIKey | VSQCBZXNTUDASM-UHFFFAOYSA-N |
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| XLogP | 30.28 |
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| TPSA | 103.12 Ų |
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| H-Bond Donors | |
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| H-Bond Acceptors | 8 |
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| Rotatable Bonds | 14 |
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| Heavy Atoms | 134 |
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| Complexity | — |
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Lipinski Rule of Five
2 violations
| Rule | Value |
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| MW ≤ 500 | 2447.07 |
| LogP ≤ 5 | 30.28 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 8 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'} |
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Analyze 4-(4-ethylphenyl)-2-phenylpyridine;tetrakis(iridium);4-(4-methylphenyl)-2-phenylpyridine;tetrakis(5-methyl-2-phenylpyridine);4-phenyl-2-phenylpyridine;2-phenyl-4-(4-propan-2-ylphenyl)pyridine with MolForge
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Frequently Asked Questions
What is the IUPAC name of 4-(4-ethylphenyl)-2-phenylpyridine;tetrakis(iridium);4-(4-methylphenyl)-2-phenylpyridine;tetrakis(5-methyl-2-phenylpyridine);4-phenyl-2-phenylpyridine;2-phenyl-4-(4-propan-2-ylphenyl)pyridine?
The IUPAC name of 4-(4-ethylphenyl)-2-phenylpyridine;tetrakis(iridium);4-(4-methylphenyl)-2-phenylpyridine;tetrakis(5-methyl-2-phenylpyridine);4-phenyl-2-phenylpyridine;2-phenyl-4-(4-propan-2-ylphenyl)pyridine (CID 157099535) is 4-(4-ethylphenyl)-2-phenylpyridine;tetrakis(iridium);4-(4-methylphenyl)-2-phenylpyridine;tetrakis(5-methyl-2-phenylpyridine);4-phenyl-2-phenylpyridine;2-phenyl-4-(4-propan-2-ylphenyl)pyridine.
What is the SMILES notation for 4-(4-ethylphenyl)-2-phenylpyridine;tetrakis(iridium);4-(4-methylphenyl)-2-phenylpyridine;tetrakis(5-methyl-2-phenylpyridine);4-phenyl-2-phenylpyridine;2-phenyl-4-(4-propan-2-ylphenyl)pyridine?
The canonical SMILES for 4-(4-ethylphenyl)-2-phenylpyridine;tetrakis(iridium);4-(4-methylphenyl)-2-phenylpyridine;tetrakis(5-methyl-2-phenylpyridine);4-phenyl-2-phenylpyridine;2-phenyl-4-(4-propan-2-ylphenyl)pyridine is CC(C)c1ccc(-c2ccnc(-c3[c-]cccc3)c2)cc1.CCc1ccc(-c2ccnc(-c3[c-]cccc3)c2)cc1.Cc1ccc(-c2[c-]cccc2)nc1.Cc1ccc(-c2[c-]cccc2)nc1.Cc1ccc(-c2[c-]cccc2)nc1.Cc1ccc(-c2[c-]cccc2)nc1.Cc1ccc(-c2ccnc(-c3[c-]cccc3)c2)cc1.[Ir].[Ir].[Ir].[Ir].[c-]1ccccc1-c1cc(-c2ccccc2)ccn1.
What is the InChIKey of 4-(4-ethylphenyl)-2-phenylpyridine;tetrakis(iridium);4-(4-methylphenyl)-2-phenylpyridine;tetrakis(5-methyl-2-phenylpyridine);4-phenyl-2-phenylpyridine;2-phenyl-4-(4-propan-2-ylphenyl)pyridine?
The InChIKey is VSQCBZXNTUDASM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N.C19H16N.C18H14N.C17H12N.4C12H10N.4Ir/c1-15(2)16-8-10-17(11-9-16)19-12-13-21-20(14-19)18-6-4-3-5-7-18;1-2-15-8-10-16(11-9-15)18-12-13-20-19(14-18)17-6-4-3-5-7-17;1-14-7-9-15(10-8-14)17-11-12-19-18(13-17)16-5-3-2-4-6-16;1-3-7-14(8-4-1)16-11-12-18-17(13-16)15-9-5-2-6-10-15;4*1-10-7-8-12(13-9-10)11-5-3-2-4-6-11;;;;/h3-6,8-15H,1-2H3;3-6,8-14H,2H2,1H3;2-5,7-13H,1H3;1-9,11-13H;4*2-5,7-9H,1H3;;;;/q8*-1;;;;.
What are the key properties of 4-(4-ethylphenyl)-2-phenylpyridine;tetrakis(iridium);4-(4-methylphenyl)-2-phenylpyridine;tetrakis(5-methyl-2-phenylpyridine);4-phenyl-2-phenylpyridine;2-phenyl-4-(4-propan-2-ylphenyl)pyridine?
4-(4-ethylphenyl)-2-phenylpyridine;tetrakis(iridium);4-(4-methylphenyl)-2-phenylpyridine;tetrakis(5-methyl-2-phenylpyridine);4-phenyl-2-phenylpyridine;2-phenyl-4-(4-propan-2-ylphenyl)pyridine has a molecular weight of 2447.07 g/mol, XLogP of 30.28, 14 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-ethylphenyl)-2-phenylpyridine;tetrakis(iridium);4-(4-methylphenyl)-2-phenylpyridine;tetrakis(5-methyl-2-phenylpyridine);4-phenyl-2-phenylpyridine;2-phenyl-4-(4-propan-2-ylphenyl)pyridine is sourced from PubChem (CID 157099535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).