4-[4-(4-tert-butylphenyl)-2,6-di(propan-2-yl)phenyl]-2-(6-phenyl-3H-dibenzofuran-3-id-4-yl)pyridine;[6-(4-fluorobenzene-6-id-1-yl)-3-pyridinyl]-trimethylsilane;iridium

C59H57FIrN2OSi-2 — CID 171723980

About 4-[4-(4-tert-butylphenyl)-2,6-di(propan-2-yl)phenyl]-2-(6-phenyl-3H-dibenzofuran-3-id-4-yl)pyridine;[6-(4-fluorobenzene-6-id-1-yl)-3-pyridinyl]-trimethylsilane;iridium

4-[4-(4-tert-butylphenyl)-2,6-di(propan-2-yl)phenyl]-2-(6-phenyl-3H-dibenzofuran-3-id-4-yl)pyridine;[6-(4-fluorobenzene-6-id-1-yl)-3-pyridinyl]-trimethylsilane;iridium (PubChem CID 171723980) has the molecular formula C59H57FIrN2OSi-2 and a molecular weight of 1049.42 g/mol. Its IUPAC name is 4-[4-(4-tert-butylphenyl)-2,6-di(propan-2-yl)phenyl]-2-(6-phenyl-3H-dibenzofuran-3-id-4-yl)pyridine;[6-(4-fluorobenzene-6-id-1-yl)-3-pyridinyl]-trimethylsilane;iridium.

Molecular Properties

• Compound Name: 4-[4-(4-tert-butylphenyl)-2,6-di(propan-2-yl)phenyl]-2-(6-phenyl-3H-dibenzofuran-3-id-4-yl)pyridine;[6-(4-fluorobenzene-6-id-1-yl)-3-pyridinyl]-trimethylsilane;iridium
• PubChem CID: 171723980
• Molecular Formula: C59H57FIrN2OSi-2
• Molecular Weight: 1049.42 g/mol
• Exact Mass: 1049.39
• IUPAC Name: 4-[4-(4-tert-butylphenyl)-2,6-di(propan-2-yl)phenyl]-2-(6-phenyl-3H-dibenzofuran-3-id-4-yl)pyridine;[6-(4-fluorobenzene-6-id-1-yl)-3-pyridinyl]-trimethylsilane;iridium
• SMILES: CC(C)c1cc(-c2ccc(C(C)(C)C)cc2)cc(C(C)C)c1-c1ccnc(-c2[c-]ccc3c2oc2c(-c4ccccc4)cccc23)c1.C[Si](C)(C)c1ccc(-c2[c-]cc(F)cc2)nc1.[Ir]
• InChI: InChI=1S/C45H42NO.C14H15FNSi.Ir/c1-28(2)39-25-33(30-19-21-34(22-20-30)45(5,6)7)26-40(29(3)4)42(39)32-23-24-46-41(27-32)38-18-12-17-37-36-16-11-15-35(43(36)47-44(37)38)31-13-9-8-10-14-31;1-17(2,3)13-8-9-14(16-10-13)11-4-6-12(15)7-5-11;/h8-17,19-29H,1-7H3;4,6-10H,1-3H3;/q2*-1
• InChIKey: JGKQISMXHOZYLM-UHFFFAOYSA-N
• XLogP: 16.22
• TPSA: 38.92 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 8
• Heavy Atoms: 65
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1049.42
LogP ≤ 5	16.22
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

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-[4-(4-tert-butylphenyl)-2,6-di(propan-2-yl)phenyl]-2-(6-phenyl-3H-dibenzofuran-3-id-4-yl)pyridine;[6-(4-fluorobenzene-6-id-1-yl)-3-pyridinyl]-trimethylsilane;iridium?

The IUPAC name of 4-[4-(4-tert-butylphenyl)-2,6-di(propan-2-yl)phenyl]-2-(6-phenyl-3H-dibenzofuran-3-id-4-yl)pyridine;[6-(4-fluorobenzene-6-id-1-yl)-3-pyridinyl]-trimethylsilane;iridium (CID 171723980) is 4-[4-(4-tert-butylphenyl)-2,6-di(propan-2-yl)phenyl]-2-(6-phenyl-3H-dibenzofuran-3-id-4-yl)pyridine;[6-(4-fluorobenzene-6-id-1-yl)-3-pyridinyl]-trimethylsilane;iridium.

What is the SMILES notation for 4-[4-(4-tert-butylphenyl)-2,6-di(propan-2-yl)phenyl]-2-(6-phenyl-3H-dibenzofuran-3-id-4-yl)pyridine;[6-(4-fluorobenzene-6-id-1-yl)-3-pyridinyl]-trimethylsilane;iridium?

The canonical SMILES for 4-[4-(4-tert-butylphenyl)-2,6-di(propan-2-yl)phenyl]-2-(6-phenyl-3H-dibenzofuran-3-id-4-yl)pyridine;[6-(4-fluorobenzene-6-id-1-yl)-3-pyridinyl]-trimethylsilane;iridium is CC(C)c1cc(-c2ccc(C(C)(C)C)cc2)cc(C(C)C)c1-c1ccnc(-c2[c-]ccc3c2oc2c(-c4ccccc4)cccc23)c1.C[Si](C)(C)c1ccc(-c2[c-]cc(F)cc2)nc1.[Ir].

What is the InChIKey of 4-[4-(4-tert-butylphenyl)-2,6-di(propan-2-yl)phenyl]-2-(6-phenyl-3H-dibenzofuran-3-id-4-yl)pyridine;[6-(4-fluorobenzene-6-id-1-yl)-3-pyridinyl]-trimethylsilane;iridium?

The InChIKey is JGKQISMXHOZYLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H42NO.C14H15FNSi.Ir/c1-28(2)39-25-33(30-19-21-34(22-20-30)45(5,6)7)26-40(29(3)4)42(39)32-23-24-46-41(27-32)38-18-12-17-37-36-16-11-15-35(43(36)47-44(37)38)31-13-9-8-10-14-31;1-17(2,3)13-8-9-14(16-10-13)11-4-6-12(15)7-5-11;/h8-17,19-29H,1-7H3;4,6-10H,1-3H3;/q2*-1;.

What are the key properties of 4-[4-(4-tert-butylphenyl)-2,6-di(propan-2-yl)phenyl]-2-(6-phenyl-3H-dibenzofuran-3-id-4-yl)pyridine;[6-(4-fluorobenzene-6-id-1-yl)-3-pyridinyl]-trimethylsilane;iridium?

4-[4-(4-tert-butylphenyl)-2,6-di(propan-2-yl)phenyl]-2-(6-phenyl-3H-dibenzofuran-3-id-4-yl)pyridine;[6-(4-fluorobenzene-6-id-1-yl)-3-pyridinyl]-trimethylsilane;iridium has a molecular weight of 1049.42 g/mol, XLogP of 16.22, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[4-(4-tert-butylphenyl)-2,6-di(propan-2-yl)phenyl]-2-(6-phenyl-3H-dibenzofuran-3-id-4-yl)pyridine;[6-(4-fluorobenzene-6-id-1-yl)-3-pyridinyl]-trimethylsilane;iridium is sourced from PubChem (CID 171723980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).