2-[7-(4-fluorophenyl)-3H-dibenzofuran-3-id-2-yl]-4-phenylpyridine;iridium;trimethyl-(4-methyl-6-phenyl-3-pyridinyl)germane

C44H35FGeIrN2O-2 — CID 166577647

About 2-[7-(4-fluorophenyl)-3H-dibenzofuran-3-id-2-yl]-4-phenylpyridine;iridium;trimethyl-(4-methyl-6-phenyl-3-pyridinyl)germane

2-[7-(4-fluorophenyl)-3H-dibenzofuran-3-id-2-yl]-4-phenylpyridine;iridium;trimethyl-(4-methyl-6-phenyl-3-pyridinyl)germane (PubChem CID 166577647) has the molecular formula C44H35FGeIrN2O-2 and a molecular weight of 891.60 g/mol. Its IUPAC name is 2-[7-(4-fluorophenyl)-3H-dibenzofuran-3-id-2-yl]-4-phenylpyridine;iridium;trimethyl-(4-methyl-6-phenyl-3-pyridinyl)germane.

Molecular Properties

• Compound Name: 2-[7-(4-fluorophenyl)-3H-dibenzofuran-3-id-2-yl]-4-phenylpyridine;iridium;trimethyl-(4-methyl-6-phenyl-3-pyridinyl)germane
• PubChem CID: 166577647
• Molecular Formula: C44H35FGeIrN2O-2
• Molecular Weight: 891.60 g/mol
• Exact Mass: 893.16
• IUPAC Name: 2-[7-(4-fluorophenyl)-3H-dibenzofuran-3-id-2-yl]-4-phenylpyridine;iridium;trimethyl-(4-methyl-6-phenyl-3-pyridinyl)germane
• SMILES: Cc1cc(-c2[c-]cccc2)ncc1[Ge](C)(C)C.Fc1ccc(-c2ccc3c(c2)oc2c[c-]c(-c4cc(-c5ccccc5)ccn4)cc23)cc1.[Ir]
• InChI: InChI=1S/C29H17FNO.C15H18GeN.Ir/c30-24-10-6-20(7-11-24)21-8-12-25-26-16-23(9-13-28(26)32-29(25)18-21)27-17-22(14-15-31-27)19-4-2-1-3-5-19;1-12-10-15(13-8-6-5-7-9-13)17-11-14(12)16(2,3)4;/h1-8,10-18H;5-8,10-11H,1-4H3;/q2*-1
• InChIKey: IHAPEVMCROQPBV-UHFFFAOYSA-N
• XLogP: 11.32
• TPSA: 38.92 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 5
• Heavy Atoms: 50
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	891.60
LogP ≤ 5	11.32
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-[7-(4-fluorophenyl)-3H-dibenzofuran-3-id-2-yl]-4-phenylpyridine;iridium;trimethyl-(4-methyl-6-phenyl-3-pyridinyl)germane?

The IUPAC name of 2-[7-(4-fluorophenyl)-3H-dibenzofuran-3-id-2-yl]-4-phenylpyridine;iridium;trimethyl-(4-methyl-6-phenyl-3-pyridinyl)germane (CID 166577647) is 2-[7-(4-fluorophenyl)-3H-dibenzofuran-3-id-2-yl]-4-phenylpyridine;iridium;trimethyl-(4-methyl-6-phenyl-3-pyridinyl)germane.

What is the SMILES notation for 2-[7-(4-fluorophenyl)-3H-dibenzofuran-3-id-2-yl]-4-phenylpyridine;iridium;trimethyl-(4-methyl-6-phenyl-3-pyridinyl)germane?

The canonical SMILES for 2-[7-(4-fluorophenyl)-3H-dibenzofuran-3-id-2-yl]-4-phenylpyridine;iridium;trimethyl-(4-methyl-6-phenyl-3-pyridinyl)germane is Cc1cc(-c2[c-]cccc2)ncc1[Ge](C)(C)C.Fc1ccc(-c2ccc3c(c2)oc2c[c-]c(-c4cc(-c5ccccc5)ccn4)cc23)cc1.[Ir].

What is the InChIKey of 2-[7-(4-fluorophenyl)-3H-dibenzofuran-3-id-2-yl]-4-phenylpyridine;iridium;trimethyl-(4-methyl-6-phenyl-3-pyridinyl)germane?

The InChIKey is IHAPEVMCROQPBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H17FNO.C15H18GeN.Ir/c30-24-10-6-20(7-11-24)21-8-12-25-26-16-23(9-13-28(26)32-29(25)18-21)27-17-22(14-15-31-27)19-4-2-1-3-5-19;1-12-10-15(13-8-6-5-7-9-13)17-11-14(12)16(2,3)4;/h1-8,10-18H;5-8,10-11H,1-4H3;/q2*-1;.

What are the key properties of 2-[7-(4-fluorophenyl)-3H-dibenzofuran-3-id-2-yl]-4-phenylpyridine;iridium;trimethyl-(4-methyl-6-phenyl-3-pyridinyl)germane?

2-[7-(4-fluorophenyl)-3H-dibenzofuran-3-id-2-yl]-4-phenylpyridine;iridium;trimethyl-(4-methyl-6-phenyl-3-pyridinyl)germane has a molecular weight of 891.60 g/mol, XLogP of 11.32, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[7-(4-fluorophenyl)-3H-dibenzofuran-3-id-2-yl]-4-phenylpyridine;iridium;trimethyl-(4-methyl-6-phenyl-3-pyridinyl)germane is sourced from PubChem (CID 166577647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).