4-tert-butyl-2-[4-(trideuteriomethyl)benzene-6-id-1-yl]pyridine;[4-[2-[9-(2-fluoropropan-2-yl)-7-phenyl-3H-dibenzofuran-3-id-4-yl]benzimidazol-1-yl]-3,5-di(propan-2-yl)phenyl]-trimethylsilane;iridium

C59H62FIrN3OSi-2 — CID 176583867

About 4-tert-butyl-2-[4-(trideuteriomethyl)benzene-6-id-1-yl]pyridine;[4-[2-[9-(2-fluoropropan-2-yl)-7-phenyl-3H-dibenzofuran-3-id-4-yl]benzimidazol-1-yl]-3,5-di(propan-2-yl)phenyl]-trimethylsilane;iridium

4-tert-butyl-2-[4-(trideuteriomethyl)benzene-6-id-1-yl]pyridine;[4-[2-[9-(2-fluoropropan-2-yl)-7-phenyl-3H-dibenzofuran-3-id-4-yl]benzimidazol-1-yl]-3,5-di(propan-2-yl)phenyl]-trimethylsilane;iridium (PubChem CID 176583867) has the molecular formula C59H62FIrN3OSi-2 and a molecular weight of 1071.48 g/mol. Its IUPAC name is 4-tert-butyl-2-[4-(trideuteriomethyl)benzene-6-id-1-yl]pyridine;[4-[2-[9-(2-fluoropropan-2-yl)-7-phenyl-3H-dibenzofuran-3-id-4-yl]benzimidazol-1-yl]-3,5-di(propan-2-yl)phenyl]-trimethylsilane;iridium.

Molecular Properties

• Compound Name: 4-tert-butyl-2-[4-(trideuteriomethyl)benzene-6-id-1-yl]pyridine;[4-[2-[9-(2-fluoropropan-2-yl)-7-phenyl-3H-dibenzofuran-3-id-4-yl]benzimidazol-1-yl]-3,5-di(propan-2-yl)phenyl]-trimethylsilane;iridium
• PubChem CID: 176583867
• Molecular Formula: C59H62FIrN3OSi-2
• Molecular Weight: 1071.48 g/mol
• Exact Mass: 1071.45
• IUPAC Name: 4-tert-butyl-2-[4-(trideuteriomethyl)benzene-6-id-1-yl]pyridine;[4-[2-[9-(2-fluoropropan-2-yl)-7-phenyl-3H-dibenzofuran-3-id-4-yl]benzimidazol-1-yl]-3,5-di(propan-2-yl)phenyl]-trimethylsilane;iridium
• SMILES: CC(C)c1cc([Si](C)(C)C)cc(C(C)C)c1-n1c(-c2[c-]ccc3c2oc2cc(-c4ccccc4)cc(C(C)(C)F)c23)nc2ccccc21.[2H]C([2H])([2H])c1c[c-]c(-c2cc(C(C)(C)C)ccn2)cc1.[Ir]
• InChI: InChI=1S/C43H44FN2OSi.C16H18N.Ir/c1-26(2)33-24-30(48(7,8)9)25-34(27(3)4)40(33)46-37-21-14-13-20-36(37)45-42(46)32-19-15-18-31-39-35(43(5,6)44)22-29(23-38(39)47-41(31)32)28-16-11-10-12-17-28;1-12-5-7-13(8-6-12)15-11-14(9-10-17-15)16(2,3)4;/h10-18,20-27H,1-9H3;5-7,9-11H,1-4H3;/q2*-1;/i;1D3
• InChIKey: NXXAKABFNURJPJ-ICMJTWPQSA-N
• XLogP: 16.21
• TPSA: 43.85 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 9
• Heavy Atoms: 66
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1071.48
LogP ≤ 5	16.21
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-2-[4-(trideuteriomethyl)benzene-6-id-1-yl]pyridine;[4-[2-[9-(2-fluoropropan-2-yl)-7-phenyl-3H-dibenzofuran-3-id-4-yl]benzimidazol-1-yl]-3,5-di(propan-2-yl)phenyl]-trimethylsilane;iridium?

The IUPAC name of 4-tert-butyl-2-[4-(trideuteriomethyl)benzene-6-id-1-yl]pyridine;[4-[2-[9-(2-fluoropropan-2-yl)-7-phenyl-3H-dibenzofuran-3-id-4-yl]benzimidazol-1-yl]-3,5-di(propan-2-yl)phenyl]-trimethylsilane;iridium (CID 176583867) is 4-tert-butyl-2-[4-(trideuteriomethyl)benzene-6-id-1-yl]pyridine;[4-[2-[9-(2-fluoropropan-2-yl)-7-phenyl-3H-dibenzofuran-3-id-4-yl]benzimidazol-1-yl]-3,5-di(propan-2-yl)phenyl]-trimethylsilane;iridium.

What is the SMILES notation for 4-tert-butyl-2-[4-(trideuteriomethyl)benzene-6-id-1-yl]pyridine;[4-[2-[9-(2-fluoropropan-2-yl)-7-phenyl-3H-dibenzofuran-3-id-4-yl]benzimidazol-1-yl]-3,5-di(propan-2-yl)phenyl]-trimethylsilane;iridium?

The canonical SMILES for 4-tert-butyl-2-[4-(trideuteriomethyl)benzene-6-id-1-yl]pyridine;[4-[2-[9-(2-fluoropropan-2-yl)-7-phenyl-3H-dibenzofuran-3-id-4-yl]benzimidazol-1-yl]-3,5-di(propan-2-yl)phenyl]-trimethylsilane;iridium is CC(C)c1cc([Si](C)(C)C)cc(C(C)C)c1-n1c(-c2[c-]ccc3c2oc2cc(-c4ccccc4)cc(C(C)(C)F)c23)nc2ccccc21.[2H]C([2H])([2H])c1c[c-]c(-c2cc(C(C)(C)C)ccn2)cc1.[Ir].

What is the InChIKey of 4-tert-butyl-2-[4-(trideuteriomethyl)benzene-6-id-1-yl]pyridine;[4-[2-[9-(2-fluoropropan-2-yl)-7-phenyl-3H-dibenzofuran-3-id-4-yl]benzimidazol-1-yl]-3,5-di(propan-2-yl)phenyl]-trimethylsilane;iridium?

The InChIKey is NXXAKABFNURJPJ-ICMJTWPQSA-N. The full InChI is InChI=1S/C43H44FN2OSi.C16H18N.Ir/c1-26(2)33-24-30(48(7,8)9)25-34(27(3)4)40(33)46-37-21-14-13-20-36(37)45-42(46)32-19-15-18-31-39-35(43(5,6)44)22-29(23-38(39)47-41(31)32)28-16-11-10-12-17-28;1-12-5-7-13(8-6-12)15-11-14(9-10-17-15)16(2,3)4;/h10-18,20-27H,1-9H3;5-7,9-11H,1-4H3;/q2*-1;/i;1D3;.

What are the key properties of 4-tert-butyl-2-[4-(trideuteriomethyl)benzene-6-id-1-yl]pyridine;[4-[2-[9-(2-fluoropropan-2-yl)-7-phenyl-3H-dibenzofuran-3-id-4-yl]benzimidazol-1-yl]-3,5-di(propan-2-yl)phenyl]-trimethylsilane;iridium?

4-tert-butyl-2-[4-(trideuteriomethyl)benzene-6-id-1-yl]pyridine;[4-[2-[9-(2-fluoropropan-2-yl)-7-phenyl-3H-dibenzofuran-3-id-4-yl]benzimidazol-1-yl]-3,5-di(propan-2-yl)phenyl]-trimethylsilane;iridium has a molecular weight of 1071.48 g/mol, XLogP of 16.21, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 4-tert-butyl-2-[4-(trideuteriomethyl)benzene-6-id-1-yl]pyridine;[4-[2-[9-(2-fluoropropan-2-yl)-7-phenyl-3H-dibenzofuran-3-id-4-yl]benzimidazol-1-yl]-3,5-di(propan-2-yl)phenyl]-trimethylsilane;iridium is sourced from PubChem (CID 176583867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).