About 2-[9,9-bis(trifluoromethyl)-3H-fluoren-3-id-2-yl]quinoline;2-(4-fluorobenzene-6-id-1-yl)pyridine;iridium
2-[9,9-bis(trifluoromethyl)-3H-fluoren-3-id-2-yl]quinoline;2-(4-fluorobenzene-6-id-1-yl)pyridine;iridium (PubChem CID 59859357) has the molecular formula C35H19F7IrN2-2
and a molecular weight of 792.75 g/mol. Its IUPAC name is 2-[9,9-bis(trifluoromethyl)-3H-fluoren-3-id-2-yl]quinoline;2-(4-fluorobenzene-6-id-1-yl)pyridine;iridium.
Molecular Properties
| Compound Name | 2-[9,9-bis(trifluoromethyl)-3H-fluoren-3-id-2-yl]quinoline;2-(4-fluorobenzene-6-id-1-yl)pyridine;iridium |
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| PubChem CID | 59859357 |
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| Molecular Formula | C35H19F7IrN2-2 |
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| Molecular Weight | 792.75 g/mol |
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| Exact Mass | 793.11 |
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| IUPAC Name | 2-[9,9-bis(trifluoromethyl)-3H-fluoren-3-id-2-yl]quinoline;2-(4-fluorobenzene-6-id-1-yl)pyridine;iridium |
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| SMILES | FC(F)(F)C1(C(F)(F)F)c2ccccc2-c2c[c-]c(-c3ccc4ccccc4n3)cc21.Fc1c[c-]c(-c2ccccn2)cc1.[Ir] |
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| InChI | InChI=1S/C24H12F6N.C11H7FN.Ir/c25-23(26,27)22(24(28,29)30)18-7-3-2-6-16(18)17-11-9-15(13-19(17)22)21-12-10-14-5-1-4-8-20(14)31-21;12-10-6-4-9(5-7-10)11-3-1-2-8-13-11;/h1-8,10-13H;1-4,6-8H;/q2*-1; |
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| InChIKey | FBKUCPFPMBHNPR-UHFFFAOYSA-N |
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| XLogP | 9.78 |
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| TPSA | 25.78 Ų |
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| H-Bond Donors | |
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| H-Bond Acceptors | 2 |
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| Rotatable Bonds | 2 |
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| Heavy Atoms | 45 |
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| Complexity | — |
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Lipinski Rule of Five
2 violations
| Rule | Value |
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| MW ≤ 500 | 792.75 |
| LogP ≤ 5 | 9.78 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 2 |
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 2-[9,9-bis(trifluoromethyl)-3H-fluoren-3-id-2-yl]quinoline;2-(4-fluorobenzene-6-id-1-yl)pyridine;iridium?
The IUPAC name of 2-[9,9-bis(trifluoromethyl)-3H-fluoren-3-id-2-yl]quinoline;2-(4-fluorobenzene-6-id-1-yl)pyridine;iridium (CID 59859357) is 2-[9,9-bis(trifluoromethyl)-3H-fluoren-3-id-2-yl]quinoline;2-(4-fluorobenzene-6-id-1-yl)pyridine;iridium.
What is the SMILES notation for 2-[9,9-bis(trifluoromethyl)-3H-fluoren-3-id-2-yl]quinoline;2-(4-fluorobenzene-6-id-1-yl)pyridine;iridium?
The canonical SMILES for 2-[9,9-bis(trifluoromethyl)-3H-fluoren-3-id-2-yl]quinoline;2-(4-fluorobenzene-6-id-1-yl)pyridine;iridium is FC(F)(F)C1(C(F)(F)F)c2ccccc2-c2c[c-]c(-c3ccc4ccccc4n3)cc21.Fc1c[c-]c(-c2ccccn2)cc1.[Ir].
What is the InChIKey of 2-[9,9-bis(trifluoromethyl)-3H-fluoren-3-id-2-yl]quinoline;2-(4-fluorobenzene-6-id-1-yl)pyridine;iridium?
The InChIKey is FBKUCPFPMBHNPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H12F6N.C11H7FN.Ir/c25-23(26,27)22(24(28,29)30)18-7-3-2-6-16(18)17-11-9-15(13-19(17)22)21-12-10-14-5-1-4-8-20(14)31-21;12-10-6-4-9(5-7-10)11-3-1-2-8-13-11;/h1-8,10-13H;1-4,6-8H;/q2*-1;.
What are the key properties of 2-[9,9-bis(trifluoromethyl)-3H-fluoren-3-id-2-yl]quinoline;2-(4-fluorobenzene-6-id-1-yl)pyridine;iridium?
2-[9,9-bis(trifluoromethyl)-3H-fluoren-3-id-2-yl]quinoline;2-(4-fluorobenzene-6-id-1-yl)pyridine;iridium has a molecular weight of 792.75 g/mol, XLogP of 9.78, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[9,9-bis(trifluoromethyl)-3H-fluoren-3-id-2-yl]quinoline;2-(4-fluorobenzene-6-id-1-yl)pyridine;iridium is sourced from PubChem (CID 59859357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).