[4-[4-[2-[7-(4,6-ditert-butyl-1,3,5-triazin-2-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

C65H63F7IrN6OSi-2 — CID 170537628

About [4-[4-[2-[7-(4,6-ditert-butyl-1,3,5-triazin-2-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-(4,6-ditert-butyl-1,3,5-triazin-2-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 170537628) has the molecular formula C65H63F7IrN6OSi-2 and a molecular weight of 1297.55 g/mol. Its IUPAC name is [4-[4-[2-[7-(4,6-ditert-butyl-1,3,5-triazin-2-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-(4,6-ditert-butyl-1,3,5-triazin-2-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: 170537628
• Molecular Formula: C65H63F7IrN6OSi-2
• Molecular Weight: 1297.55 g/mol
• Exact Mass: 1297.44
• IUPAC Name: [4-[4-[2-[7-(4,6-ditert-butyl-1,3,5-triazin-2-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(-c4nc(C(C)(C)C)nc(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/C51H56N5OSi.C14H7F7N.Ir/c1-30(2)39-27-34(32-21-24-35(25-22-32)58(11,12)13)28-40(31(3)4)44(39)56-42-20-15-14-19-41(42)52-47(56)38-18-16-17-37-36-26-23-33(29-43(36)57-45(37)38)46-53-48(50(5,6)7)55-49(54-46)51(8,9)10;15-12(13(16,17)18,14(19,20)21)10-6-7-22-11(8-10)9-4-2-1-3-5-9;/h14-17,19-31H,1-13H3;1-4,6-8H;/q2*-1
• InChIKey: YNLWHIMJHRHEHT-UHFFFAOYSA-N
• XLogP: 18.13
• TPSA: 82.52 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 9
• Heavy Atoms: 81
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1297.55
LogP ≤ 5	18.13
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

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-(4,6-ditert-butyl-1,3,5-triazin-2-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-(4,6-ditert-butyl-1,3,5-triazin-2-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 170537628) is [4-[4-[2-[7-(4,6-ditert-butyl-1,3,5-triazin-2-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-(4,6-ditert-butyl-1,3,5-triazin-2-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-(4,6-ditert-butyl-1,3,5-triazin-2-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(-c4nc(C(C)(C)C)nc(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-(4,6-ditert-butyl-1,3,5-triazin-2-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 YNLWHIMJHRHEHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H56N5OSi.C14H7F7N.Ir/c1-30(2)39-27-34(32-21-24-35(25-22-32)58(11,12)13)28-40(31(3)4)44(39)56-42-20-15-14-19-41(42)52-47(56)38-18-16-17-37-36-26-23-33(29-43(36)57-45(37)38)46-53-48(50(5,6)7)55-49(54-46)51(8,9)10;15-12(13(16,17)18,14(19,20)21)10-6-7-22-11(8-10)9-4-2-1-3-5-9;/h14-17,19-31H,1-13H3;1-4,6-8H;/q2*-1;.

What are the key properties of [4-[4-[2-[7-(4,6-ditert-butyl-1,3,5-triazin-2-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-(4,6-ditert-butyl-1,3,5-triazin-2-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 1297.55 g/mol, XLogP of 18.13, 9 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for [4-[4-[2-[7-(4,6-ditert-butyl-1,3,5-triazin-2-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 170537628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).