5-tert-butyl-2-[2-fluoro-4-(trideuteriomethyl)benzene-6-id-1-yl]pyridine;1-[2,6-di(propan-2-yl)phenyl]-2-(1-methyl-7-phenyl-3H-dibenzofuran-3-id-4-yl)-5-phenylimidazo[4,5-b]pyridine;iridium

C59H53FIrN4O-2 — CID 164826922

About 5-tert-butyl-2-[2-fluoro-4-(trideuteriomethyl)benzene-6-id-1-yl]pyridine;1-[2,6-di(propan-2-yl)phenyl]-2-(1-methyl-7-phenyl-3H-dibenzofuran-3-id-4-yl)-5-phenylimidazo[4,5-b]pyridine;iridium

5-tert-butyl-2-[2-fluoro-4-(trideuteriomethyl)benzene-6-id-1-yl]pyridine;1-[2,6-di(propan-2-yl)phenyl]-2-(1-methyl-7-phenyl-3H-dibenzofuran-3-id-4-yl)-5-phenylimidazo[4,5-b]pyridine;iridium (PubChem CID 164826922) has the molecular formula C59H53FIrN4O-2 and a molecular weight of 1048.33 g/mol. Its IUPAC name is 5-tert-butyl-2-[2-fluoro-4-(trideuteriomethyl)benzene-6-id-1-yl]pyridine;1-[2,6-di(propan-2-yl)phenyl]-2-(1-methyl-7-phenyl-3H-dibenzofuran-3-id-4-yl)-5-phenylimidazo[4,5-b]pyridine;iridium.

Molecular Properties

• Compound Name: 5-tert-butyl-2-[2-fluoro-4-(trideuteriomethyl)benzene-6-id-1-yl]pyridine;1-[2,6-di(propan-2-yl)phenyl]-2-(1-methyl-7-phenyl-3H-dibenzofuran-3-id-4-yl)-5-phenylimidazo[4,5-b]pyridine;iridium
• PubChem CID: 164826922
• Molecular Formula: C59H53FIrN4O-2
• Molecular Weight: 1048.33 g/mol
• Exact Mass: 1048.40
• IUPAC Name: 5-tert-butyl-2-[2-fluoro-4-(trideuteriomethyl)benzene-6-id-1-yl]pyridine;1-[2,6-di(propan-2-yl)phenyl]-2-(1-methyl-7-phenyl-3H-dibenzofuran-3-id-4-yl)-5-phenylimidazo[4,5-b]pyridine;iridium
• SMILES: Cc1c[c-]c(-c2nc3nc(-c4ccccc4)ccc3n2-c2c(C(C)C)cccc2C(C)C)c2oc3cc(-c4ccccc4)ccc3c12.[2H]C([2H])([2H])c1c[c-]c(-c2ccc(C(C)(C)C)cn2)c(F)c1.[Ir]
• InChI: InChI=1S/C43H36N3O.C16H17FN.Ir/c1-26(2)32-17-12-18-33(27(3)4)40(32)46-37-24-23-36(30-15-10-7-11-16-30)44-42(37)45-43(46)35-21-19-28(5)39-34-22-20-31(25-38(34)47-41(35)39)29-13-8-6-9-14-29;1-11-5-7-13(14(17)9-11)15-8-6-12(10-18-15)16(2,3)4;/h6-20,22-27H,1-5H3;5-6,8-10H,1-4H3;/q2*-1;/i;1D3
• InChIKey: WERSEGFIUSKSMU-ICMJTWPQSA-N
• XLogP: 15.97
• TPSA: 56.74 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 8
• Heavy Atoms: 66
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1048.33
LogP ≤ 5	15.97
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 5-tert-butyl-2-[2-fluoro-4-(trideuteriomethyl)benzene-6-id-1-yl]pyridine;1-[2,6-di(propan-2-yl)phenyl]-2-(1-methyl-7-phenyl-3H-dibenzofuran-3-id-4-yl)-5-phenylimidazo[4,5-b]pyridine;iridium?

The IUPAC name of 5-tert-butyl-2-[2-fluoro-4-(trideuteriomethyl)benzene-6-id-1-yl]pyridine;1-[2,6-di(propan-2-yl)phenyl]-2-(1-methyl-7-phenyl-3H-dibenzofuran-3-id-4-yl)-5-phenylimidazo[4,5-b]pyridine;iridium (CID 164826922) is 5-tert-butyl-2-[2-fluoro-4-(trideuteriomethyl)benzene-6-id-1-yl]pyridine;1-[2,6-di(propan-2-yl)phenyl]-2-(1-methyl-7-phenyl-3H-dibenzofuran-3-id-4-yl)-5-phenylimidazo[4,5-b]pyridine;iridium.

What is the SMILES notation for 5-tert-butyl-2-[2-fluoro-4-(trideuteriomethyl)benzene-6-id-1-yl]pyridine;1-[2,6-di(propan-2-yl)phenyl]-2-(1-methyl-7-phenyl-3H-dibenzofuran-3-id-4-yl)-5-phenylimidazo[4,5-b]pyridine;iridium?

The canonical SMILES for 5-tert-butyl-2-[2-fluoro-4-(trideuteriomethyl)benzene-6-id-1-yl]pyridine;1-[2,6-di(propan-2-yl)phenyl]-2-(1-methyl-7-phenyl-3H-dibenzofuran-3-id-4-yl)-5-phenylimidazo[4,5-b]pyridine;iridium is Cc1c[c-]c(-c2nc3nc(-c4ccccc4)ccc3n2-c2c(C(C)C)cccc2C(C)C)c2oc3cc(-c4ccccc4)ccc3c12.[2H]C([2H])([2H])c1c[c-]c(-c2ccc(C(C)(C)C)cn2)c(F)c1.[Ir].

What is the InChIKey of 5-tert-butyl-2-[2-fluoro-4-(trideuteriomethyl)benzene-6-id-1-yl]pyridine;1-[2,6-di(propan-2-yl)phenyl]-2-(1-methyl-7-phenyl-3H-dibenzofuran-3-id-4-yl)-5-phenylimidazo[4,5-b]pyridine;iridium?

The InChIKey is WERSEGFIUSKSMU-ICMJTWPQSA-N. The full InChI is InChI=1S/C43H36N3O.C16H17FN.Ir/c1-26(2)32-17-12-18-33(27(3)4)40(32)46-37-24-23-36(30-15-10-7-11-16-30)44-42(37)45-43(46)35-21-19-28(5)39-34-22-20-31(25-38(34)47-41(35)39)29-13-8-6-9-14-29;1-11-5-7-13(14(17)9-11)15-8-6-12(10-18-15)16(2,3)4;/h6-20,22-27H,1-5H3;5-6,8-10H,1-4H3;/q2*-1;/i;1D3;.

What are the key properties of 5-tert-butyl-2-[2-fluoro-4-(trideuteriomethyl)benzene-6-id-1-yl]pyridine;1-[2,6-di(propan-2-yl)phenyl]-2-(1-methyl-7-phenyl-3H-dibenzofuran-3-id-4-yl)-5-phenylimidazo[4,5-b]pyridine;iridium?

5-tert-butyl-2-[2-fluoro-4-(trideuteriomethyl)benzene-6-id-1-yl]pyridine;1-[2,6-di(propan-2-yl)phenyl]-2-(1-methyl-7-phenyl-3H-dibenzofuran-3-id-4-yl)-5-phenylimidazo[4,5-b]pyridine;iridium has a molecular weight of 1048.33 g/mol, XLogP of 15.97, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 5-tert-butyl-2-[2-fluoro-4-(trideuteriomethyl)benzene-6-id-1-yl]pyridine;1-[2,6-di(propan-2-yl)phenyl]-2-(1-methyl-7-phenyl-3H-dibenzofuran-3-id-4-yl)-5-phenylimidazo[4,5-b]pyridine;iridium is sourced from PubChem (CID 164826922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).