[4-[4-[2-[7-(2-tert-butylpyrimidin-4-yl)-3H-dibenzofuran-3-id-4-yl]benzimidazol-1-yl]-3,5-di(propan-2-yl)phenyl]phenyl]-trimethylsilane;4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2-phenylpyridine;iridium

C62H56F7IrN5OSi-2 — CID 170537738

About [4-[4-[2-[7-(2-tert-butylpyrimidin-4-yl)-3H-dibenzofuran-3-id-4-yl]benzimidazol-1-yl]-3,5-di(propan-2-yl)phenyl]phenyl]-trimethylsilane;4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2-phenylpyridine;iridium

[4-[4-[2-[7-(2-tert-butylpyrimidin-4-yl)-3H-dibenzofuran-3-id-4-yl]benzimidazol-1-yl]-3,5-di(propan-2-yl)phenyl]phenyl]-trimethylsilane;4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2-phenylpyridine;iridium (PubChem CID 170537738) has the molecular formula C62H56F7IrN5OSi-2 and a molecular weight of 1240.45 g/mol. Its IUPAC name is [4-[4-[2-[7-(2-tert-butylpyrimidin-4-yl)-3H-dibenzofuran-3-id-4-yl]benzimidazol-1-yl]-3,5-di(propan-2-yl)phenyl]phenyl]-trimethylsilane;4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2-phenylpyridine;iridium.

Molecular Properties

• Compound Name: [4-[4-[2-[7-(2-tert-butylpyrimidin-4-yl)-3H-dibenzofuran-3-id-4-yl]benzimidazol-1-yl]-3,5-di(propan-2-yl)phenyl]phenyl]-trimethylsilane;4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2-phenylpyridine;iridium
• PubChem CID: 170537738
• Molecular Formula: C62H56F7IrN5OSi-2
• Molecular Weight: 1240.45 g/mol
• Exact Mass: 1240.38
• IUPAC Name: [4-[4-[2-[7-(2-tert-butylpyrimidin-4-yl)-3H-dibenzofuran-3-id-4-yl]benzimidazol-1-yl]-3,5-di(propan-2-yl)phenyl]phenyl]-trimethylsilane;4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2-phenylpyridine;iridium
• SMILES: CC(C)c1cc(-c2ccc([Si](C)(C)C)cc2)cc(C(C)C)c1-n1c(-c2[c-]ccc3c2oc2cc(-c4ccnc(C(C)(C)C)n4)ccc23)nc2ccccc21.FC(F)(F)C(F)(c1ccnc(-c2[c-]cccc2)c1)C(F)(F)F.[Ir]
• InChI: InChI=1S/C48H49N4OSi.C14H7F7N.Ir/c1-29(2)38-26-33(31-18-21-34(22-19-31)54(8,9)10)27-39(30(3)4)44(38)52-42-17-12-11-16-41(42)50-46(52)37-15-13-14-36-35-23-20-32(28-43(35)53-45(36)37)40-24-25-49-47(51-40)48(5,6)7;15-12(13(16,17)18,14(19,20)21)10-6-7-22-11(8-10)9-4-2-1-3-5-9;/h11-14,16-30H,1-10H3;1-4,6-8H;/q2*-1
• InChIKey: WWMUTXXZPKARJV-UHFFFAOYSA-N
• XLogP: 17.44
• TPSA: 69.63 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 9
• Heavy Atoms: 77
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1240.45
LogP ≤ 5	17.44
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

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-[2-[7-(2-tert-butylpyrimidin-4-yl)-3H-dibenzofuran-3-id-4-yl]benzimidazol-1-yl]-3,5-di(propan-2-yl)phenyl]phenyl]-trimethylsilane;4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2-phenylpyridine;iridium?

The IUPAC name of [4-[4-[2-[7-(2-tert-butylpyrimidin-4-yl)-3H-dibenzofuran-3-id-4-yl]benzimidazol-1-yl]-3,5-di(propan-2-yl)phenyl]phenyl]-trimethylsilane;4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2-phenylpyridine;iridium (CID 170537738) is [4-[4-[2-[7-(2-tert-butylpyrimidin-4-yl)-3H-dibenzofuran-3-id-4-yl]benzimidazol-1-yl]-3,5-di(propan-2-yl)phenyl]phenyl]-trimethylsilane;4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2-phenylpyridine;iridium.

What is the SMILES notation for [4-[4-[2-[7-(2-tert-butylpyrimidin-4-yl)-3H-dibenzofuran-3-id-4-yl]benzimidazol-1-yl]-3,5-di(propan-2-yl)phenyl]phenyl]-trimethylsilane;4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2-phenylpyridine;iridium?

The canonical SMILES for [4-[4-[2-[7-(2-tert-butylpyrimidin-4-yl)-3H-dibenzofuran-3-id-4-yl]benzimidazol-1-yl]-3,5-di(propan-2-yl)phenyl]phenyl]-trimethylsilane;4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2-phenylpyridine;iridium is CC(C)c1cc(-c2ccc([Si](C)(C)C)cc2)cc(C(C)C)c1-n1c(-c2[c-]ccc3c2oc2cc(-c4ccnc(C(C)(C)C)n4)ccc23)nc2ccccc21.FC(F)(F)C(F)(c1ccnc(-c2[c-]cccc2)c1)C(F)(F)F.[Ir].

What is the InChIKey of [4-[4-[2-[7-(2-tert-butylpyrimidin-4-yl)-3H-dibenzofuran-3-id-4-yl]benzimidazol-1-yl]-3,5-di(propan-2-yl)phenyl]phenyl]-trimethylsilane;4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2-phenylpyridine;iridium?

The InChIKey is WWMUTXXZPKARJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H49N4OSi.C14H7F7N.Ir/c1-29(2)38-26-33(31-18-21-34(22-19-31)54(8,9)10)27-39(30(3)4)44(38)52-42-17-12-11-16-41(42)50-46(52)37-15-13-14-36-35-23-20-32(28-43(35)53-45(36)37)40-24-25-49-47(51-40)48(5,6)7;15-12(13(16,17)18,14(19,20)21)10-6-7-22-11(8-10)9-4-2-1-3-5-9;/h11-14,16-30H,1-10H3;1-4,6-8H;/q2*-1;.

What are the key properties of [4-[4-[2-[7-(2-tert-butylpyrimidin-4-yl)-3H-dibenzofuran-3-id-4-yl]benzimidazol-1-yl]-3,5-di(propan-2-yl)phenyl]phenyl]-trimethylsilane;4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2-phenylpyridine;iridium?

[4-[4-[2-[7-(2-tert-butylpyrimidin-4-yl)-3H-dibenzofuran-3-id-4-yl]benzimidazol-1-yl]-3,5-di(propan-2-yl)phenyl]phenyl]-trimethylsilane;4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2-phenylpyridine;iridium has a molecular weight of 1240.45 g/mol, XLogP of 17.44, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for [4-[4-[2-[7-(2-tert-butylpyrimidin-4-yl)-3H-dibenzofuran-3-id-4-yl]benzimidazol-1-yl]-3,5-di(propan-2-yl)phenyl]phenyl]-trimethylsilane;4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2-phenylpyridine;iridium is sourced from PubChem (CID 170537738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).