About iridium(3+);2-[3-[3-(1-methylimidazol-2-yl)benzene-2-id-1-yl]oxybenzene-2-id-1-yl]oxypyridine;2-phenylpyridine
iridium(3+);2-[3-[3-(1-methylimidazol-2-yl)benzene-2-id-1-yl]oxybenzene-2-id-1-yl]oxypyridine;2-phenylpyridine (PubChem CID 140597840) has the molecular formula C32H23IrN4O2
and a molecular weight of 687.78 g/mol. Its IUPAC name is iridium(3+);2-[3-[3-(1-methylimidazol-2-yl)benzene-2-id-1-yl]oxybenzene-2-id-1-yl]oxypyridine;2-phenylpyridine.
Molecular Properties
| Compound Name | iridium(3+);2-[3-[3-(1-methylimidazol-2-yl)benzene-2-id-1-yl]oxybenzene-2-id-1-yl]oxypyridine;2-phenylpyridine |
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| PubChem CID | 140597840 |
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| Molecular Formula | C32H23IrN4O2 |
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| Molecular Weight | 687.78 g/mol |
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| Exact Mass | 688.15 |
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| IUPAC Name | iridium(3+);2-[3-[3-(1-methylimidazol-2-yl)benzene-2-id-1-yl]oxybenzene-2-id-1-yl]oxypyridine;2-phenylpyridine |
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| SMILES | Cn1ccnc1-c1[c-]c(Oc2[c-]c(Oc3ccccn3)ccc2)ccc1.[Ir+3].[c-]1ccccc1-c1ccccn1 |
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| InChI | InChI=1S/C21H15N3O2.C11H8N.Ir/c1-24-13-12-23-21(24)16-6-4-7-17(14-16)25-18-8-5-9-19(15-18)26-20-10-2-3-11-22-20;1-2-6-10(7-3-1)11-8-4-5-9-12-11;/h2-13H,1H3;1-6,8-9H;/q-2;-1;+3 |
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| InChIKey | SIWQSBSWYZRROE-UHFFFAOYSA-N |
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| XLogP | 7.21 |
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| TPSA | 62.06 Ų |
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| H-Bond Donors | |
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| H-Bond Acceptors | 6 |
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| Rotatable Bonds | 6 |
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| Heavy Atoms | 39 |
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| Complexity | — |
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Lipinski Rule of Five
2 violations
| Rule | Value |
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| MW ≤ 500 | 687.78 |
| LogP ≤ 5 | 7.21 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 6 |
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 iridium(3+);2-[3-[3-(1-methylimidazol-2-yl)benzene-2-id-1-yl]oxybenzene-2-id-1-yl]oxypyridine;2-phenylpyridine?
The IUPAC name of iridium(3+);2-[3-[3-(1-methylimidazol-2-yl)benzene-2-id-1-yl]oxybenzene-2-id-1-yl]oxypyridine;2-phenylpyridine (CID 140597840) is iridium(3+);2-[3-[3-(1-methylimidazol-2-yl)benzene-2-id-1-yl]oxybenzene-2-id-1-yl]oxypyridine;2-phenylpyridine.
What is the SMILES notation for iridium(3+);2-[3-[3-(1-methylimidazol-2-yl)benzene-2-id-1-yl]oxybenzene-2-id-1-yl]oxypyridine;2-phenylpyridine?
The canonical SMILES for iridium(3+);2-[3-[3-(1-methylimidazol-2-yl)benzene-2-id-1-yl]oxybenzene-2-id-1-yl]oxypyridine;2-phenylpyridine is Cn1ccnc1-c1[c-]c(Oc2[c-]c(Oc3ccccn3)ccc2)ccc1.[Ir+3].[c-]1ccccc1-c1ccccn1.
What is the InChIKey of iridium(3+);2-[3-[3-(1-methylimidazol-2-yl)benzene-2-id-1-yl]oxybenzene-2-id-1-yl]oxypyridine;2-phenylpyridine?
The InChIKey is SIWQSBSWYZRROE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15N3O2.C11H8N.Ir/c1-24-13-12-23-21(24)16-6-4-7-17(14-16)25-18-8-5-9-19(15-18)26-20-10-2-3-11-22-20;1-2-6-10(7-3-1)11-8-4-5-9-12-11;/h2-13H,1H3;1-6,8-9H;/q-2;-1;+3.
What are the key properties of iridium(3+);2-[3-[3-(1-methylimidazol-2-yl)benzene-2-id-1-yl]oxybenzene-2-id-1-yl]oxypyridine;2-phenylpyridine?
iridium(3+);2-[3-[3-(1-methylimidazol-2-yl)benzene-2-id-1-yl]oxybenzene-2-id-1-yl]oxypyridine;2-phenylpyridine has a molecular weight of 687.78 g/mol, XLogP of 7.21, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for iridium(3+);2-[3-[3-(1-methylimidazol-2-yl)benzene-2-id-1-yl]oxybenzene-2-id-1-yl]oxypyridine;2-phenylpyridine is sourced from PubChem (CID 140597840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).