2-(3H-dibenzofuran-3-id-4-yl)-4-[4-(4-phenylphenyl)-2,6-di(propan-2-yl)phenyl]-5-(trideuteriomethyl)pyridine;iridium;4-(2-phenyl-3-pyridinyl)-2,5-bis(trifluoromethyl)-1,3-oxazole

C58H43F6IrN3O2-2 — CID 172541871

About 2-(3H-dibenzofuran-3-id-4-yl)-4-[4-(4-phenylphenyl)-2,6-di(propan-2-yl)phenyl]-5-(trideuteriomethyl)pyridine;iridium;4-(2-phenyl-3-pyridinyl)-2,5-bis(trifluoromethyl)-1,3-oxazole

2-(3H-dibenzofuran-3-id-4-yl)-4-[4-(4-phenylphenyl)-2,6-di(propan-2-yl)phenyl]-5-(trideuteriomethyl)pyridine;iridium;4-(2-phenyl-3-pyridinyl)-2,5-bis(trifluoromethyl)-1,3-oxazole (PubChem CID 172541871) has the molecular formula C58H43F6IrN3O2-2 and a molecular weight of 1123.22 g/mol. Its IUPAC name is 2-(3H-dibenzofuran-3-id-4-yl)-4-[4-(4-phenylphenyl)-2,6-di(propan-2-yl)phenyl]-5-(trideuteriomethyl)pyridine;iridium;4-(2-phenyl-3-pyridinyl)-2,5-bis(trifluoromethyl)-1,3-oxazole.

Molecular Properties

• Compound Name: 2-(3H-dibenzofuran-3-id-4-yl)-4-[4-(4-phenylphenyl)-2,6-di(propan-2-yl)phenyl]-5-(trideuteriomethyl)pyridine;iridium;4-(2-phenyl-3-pyridinyl)-2,5-bis(trifluoromethyl)-1,3-oxazole
• PubChem CID: 172541871
• Molecular Formula: C58H43F6IrN3O2-2
• Molecular Weight: 1123.22 g/mol
• Exact Mass: 1123.31
• IUPAC Name: 2-(3H-dibenzofuran-3-id-4-yl)-4-[4-(4-phenylphenyl)-2,6-di(propan-2-yl)phenyl]-5-(trideuteriomethyl)pyridine;iridium;4-(2-phenyl-3-pyridinyl)-2,5-bis(trifluoromethyl)-1,3-oxazole
• SMILES: FC(F)(F)c1nc(-c2cccnc2-c2[c-]cccc2)c(C(F)(F)F)o1.[2H]C([2H])([2H])c1cnc(-c2[c-]ccc3c2oc2ccccc23)cc1-c1c(C(C)C)cc(-c2ccc(-c3ccccc3)cc2)cc1C(C)C.[Ir]
• InChI: InChI=1S/C42H36NO.C16H7F6N2O.Ir/c1-26(2)36-22-32(31-20-18-30(19-21-31)29-12-7-6-8-13-29)23-37(27(3)4)41(36)38-24-39(43-25-28(38)5)35-16-11-15-34-33-14-9-10-17-40(33)44-42(34)35;17-15(18,19)13-12(24-14(25-13)16(20,21)22)10-7-4-8-23-11(10)9-5-2-1-3-6-9;/h6-15,17-27H,1-5H3;1-5,7-8H;/q2*-1;/i5D3
• InChIKey: GBZCNMDLQQGMAI-YLSPSJLGSA-N
• XLogP: 17.24
• TPSA: 64.95 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 9
• Heavy Atoms: 70
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1123.22
LogP ≤ 5	17.24
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-(3H-dibenzofuran-3-id-4-yl)-4-[4-(4-phenylphenyl)-2,6-di(propan-2-yl)phenyl]-5-(trideuteriomethyl)pyridine;iridium;4-(2-phenyl-3-pyridinyl)-2,5-bis(trifluoromethyl)-1,3-oxazole?

The IUPAC name of 2-(3H-dibenzofuran-3-id-4-yl)-4-[4-(4-phenylphenyl)-2,6-di(propan-2-yl)phenyl]-5-(trideuteriomethyl)pyridine;iridium;4-(2-phenyl-3-pyridinyl)-2,5-bis(trifluoromethyl)-1,3-oxazole (CID 172541871) is 2-(3H-dibenzofuran-3-id-4-yl)-4-[4-(4-phenylphenyl)-2,6-di(propan-2-yl)phenyl]-5-(trideuteriomethyl)pyridine;iridium;4-(2-phenyl-3-pyridinyl)-2,5-bis(trifluoromethyl)-1,3-oxazole.

What is the SMILES notation for 2-(3H-dibenzofuran-3-id-4-yl)-4-[4-(4-phenylphenyl)-2,6-di(propan-2-yl)phenyl]-5-(trideuteriomethyl)pyridine;iridium;4-(2-phenyl-3-pyridinyl)-2,5-bis(trifluoromethyl)-1,3-oxazole?

The canonical SMILES for 2-(3H-dibenzofuran-3-id-4-yl)-4-[4-(4-phenylphenyl)-2,6-di(propan-2-yl)phenyl]-5-(trideuteriomethyl)pyridine;iridium;4-(2-phenyl-3-pyridinyl)-2,5-bis(trifluoromethyl)-1,3-oxazole is FC(F)(F)c1nc(-c2cccnc2-c2[c-]cccc2)c(C(F)(F)F)o1.[2H]C([2H])([2H])c1cnc(-c2[c-]ccc3c2oc2ccccc23)cc1-c1c(C(C)C)cc(-c2ccc(-c3ccccc3)cc2)cc1C(C)C.[Ir].

What is the InChIKey of 2-(3H-dibenzofuran-3-id-4-yl)-4-[4-(4-phenylphenyl)-2,6-di(propan-2-yl)phenyl]-5-(trideuteriomethyl)pyridine;iridium;4-(2-phenyl-3-pyridinyl)-2,5-bis(trifluoromethyl)-1,3-oxazole?

The InChIKey is GBZCNMDLQQGMAI-YLSPSJLGSA-N. The full InChI is InChI=1S/C42H36NO.C16H7F6N2O.Ir/c1-26(2)36-22-32(31-20-18-30(19-21-31)29-12-7-6-8-13-29)23-37(27(3)4)41(36)38-24-39(43-25-28(38)5)35-16-11-15-34-33-14-9-10-17-40(33)44-42(34)35;17-15(18,19)13-12(24-14(25-13)16(20,21)22)10-7-4-8-23-11(10)9-5-2-1-3-6-9;/h6-15,17-27H,1-5H3;1-5,7-8H;/q2*-1;/i5D3;;.

What are the key properties of 2-(3H-dibenzofuran-3-id-4-yl)-4-[4-(4-phenylphenyl)-2,6-di(propan-2-yl)phenyl]-5-(trideuteriomethyl)pyridine;iridium;4-(2-phenyl-3-pyridinyl)-2,5-bis(trifluoromethyl)-1,3-oxazole?

2-(3H-dibenzofuran-3-id-4-yl)-4-[4-(4-phenylphenyl)-2,6-di(propan-2-yl)phenyl]-5-(trideuteriomethyl)pyridine;iridium;4-(2-phenyl-3-pyridinyl)-2,5-bis(trifluoromethyl)-1,3-oxazole has a molecular weight of 1123.22 g/mol, XLogP of 17.24, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(3H-dibenzofuran-3-id-4-yl)-4-[4-(4-phenylphenyl)-2,6-di(propan-2-yl)phenyl]-5-(trideuteriomethyl)pyridine;iridium;4-(2-phenyl-3-pyridinyl)-2,5-bis(trifluoromethyl)-1,3-oxazole is sourced from PubChem (CID 172541871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).