About bis(iridium);bis(2-phenylpyridine);2-[4-(4-pyridin-2-ylbenzene-5-id-1-yl)benzene-6-id-1-yl]pyridine
bis(iridium);bis(2-phenylpyridine);2-[4-(4-pyridin-2-ylbenzene-5-id-1-yl)benzene-6-id-1-yl]pyridine (PubChem CID 23591784) has the molecular formula C44H30Ir2N4-4
and a molecular weight of 999.19 g/mol. Its IUPAC name is bis(iridium);bis(2-phenylpyridine);2-[4-(4-pyridin-2-ylbenzene-5-id-1-yl)benzene-6-id-1-yl]pyridine.
Molecular Properties
| Compound Name | bis(iridium);bis(2-phenylpyridine);2-[4-(4-pyridin-2-ylbenzene-5-id-1-yl)benzene-6-id-1-yl]pyridine |
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| PubChem CID | 23591784 |
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| Molecular Formula | C44H30Ir2N4-4 |
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| Molecular Weight | 999.19 g/mol |
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| Exact Mass | 1000.18 |
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| IUPAC Name | bis(iridium);bis(2-phenylpyridine);2-[4-(4-pyridin-2-ylbenzene-5-id-1-yl)benzene-6-id-1-yl]pyridine |
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| SMILES | [Ir].[Ir].[c-]1cc(-c2c[c-]c(-c3ccccn3)cc2)ccc1-c1ccccn1.[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1ccccn1 |
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| InChI | InChI=1S/C22H14N2.2C11H8N.2Ir/c1-3-15-23-21(5-1)19-11-7-17(8-12-19)18-9-13-20(14-10-18)22-6-2-4-16-24-22;2*1-2-6-10(7-3-1)11-8-4-5-9-12-11;;/h1-11,13,15-16H;2*1-6,8-9H;;/q-2;2*-1;; |
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| InChIKey | SFRJQQHKNZAKLC-UHFFFAOYSA-N |
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| XLogP | 10.17 |
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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 | 5 |
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| Heavy Atoms | 50 |
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| Complexity | — |
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Lipinski Rule of Five
2 violations
| Rule | Value |
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| MW ≤ 500 | 999.19 |
| LogP ≤ 5 | 10.17 |
| 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(iridium);bis(2-phenylpyridine);2-[4-(4-pyridin-2-ylbenzene-5-id-1-yl)benzene-6-id-1-yl]pyridine?
The IUPAC name of bis(iridium);bis(2-phenylpyridine);2-[4-(4-pyridin-2-ylbenzene-5-id-1-yl)benzene-6-id-1-yl]pyridine (CID 23591784) is bis(iridium);bis(2-phenylpyridine);2-[4-(4-pyridin-2-ylbenzene-5-id-1-yl)benzene-6-id-1-yl]pyridine.
What is the SMILES notation for bis(iridium);bis(2-phenylpyridine);2-[4-(4-pyridin-2-ylbenzene-5-id-1-yl)benzene-6-id-1-yl]pyridine?
The canonical SMILES for bis(iridium);bis(2-phenylpyridine);2-[4-(4-pyridin-2-ylbenzene-5-id-1-yl)benzene-6-id-1-yl]pyridine is [Ir].[Ir].[c-]1cc(-c2c[c-]c(-c3ccccn3)cc2)ccc1-c1ccccn1.[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1ccccn1.
What is the InChIKey of bis(iridium);bis(2-phenylpyridine);2-[4-(4-pyridin-2-ylbenzene-5-id-1-yl)benzene-6-id-1-yl]pyridine?
The InChIKey is SFRJQQHKNZAKLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H14N2.2C11H8N.2Ir/c1-3-15-23-21(5-1)19-11-7-17(8-12-19)18-9-13-20(14-10-18)22-6-2-4-16-24-22;2*1-2-6-10(7-3-1)11-8-4-5-9-12-11;;/h1-11,13,15-16H;2*1-6,8-9H;;/q-2;2*-1;;.
What are the key properties of bis(iridium);bis(2-phenylpyridine);2-[4-(4-pyridin-2-ylbenzene-5-id-1-yl)benzene-6-id-1-yl]pyridine?
bis(iridium);bis(2-phenylpyridine);2-[4-(4-pyridin-2-ylbenzene-5-id-1-yl)benzene-6-id-1-yl]pyridine has a molecular weight of 999.19 g/mol, XLogP of 10.17, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for bis(iridium);bis(2-phenylpyridine);2-[4-(4-pyridin-2-ylbenzene-5-id-1-yl)benzene-6-id-1-yl]pyridine is sourced from PubChem (CID 23591784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).