5-tert-butyl-2-phenylpyridine;6-(5-fluoro-2-pyridinyl)-4-phenyl-7H-dibenzofuran-7-ide-3-carbonitrile;iridium

C39H28FIrN3O-2 — CID 168774915

About 5-tert-butyl-2-phenylpyridine;6-(5-fluoro-2-pyridinyl)-4-phenyl-7H-dibenzofuran-7-ide-3-carbonitrile;iridium

5-tert-butyl-2-phenylpyridine;6-(5-fluoro-2-pyridinyl)-4-phenyl-7H-dibenzofuran-7-ide-3-carbonitrile;iridium (PubChem CID 168774915) has the molecular formula C39H28FIrN3O-2 and a molecular weight of 765.89 g/mol. Its IUPAC name is 5-tert-butyl-2-phenylpyridine;6-(5-fluoro-2-pyridinyl)-4-phenyl-7H-dibenzofuran-7-ide-3-carbonitrile;iridium.

Molecular Properties

• Compound Name: 5-tert-butyl-2-phenylpyridine;6-(5-fluoro-2-pyridinyl)-4-phenyl-7H-dibenzofuran-7-ide-3-carbonitrile;iridium
• PubChem CID: 168774915
• Molecular Formula: C39H28FIrN3O-2
• Molecular Weight: 765.89 g/mol
• Exact Mass: 766.19
• IUPAC Name: 5-tert-butyl-2-phenylpyridine;6-(5-fluoro-2-pyridinyl)-4-phenyl-7H-dibenzofuran-7-ide-3-carbonitrile;iridium
• SMILES: CC(C)(C)c1ccc(-c2[c-]cccc2)nc1.N#Cc1ccc2c(oc3c(-c4ccc(F)cn4)[c-]ccc32)c1-c1ccccc1.[Ir]
• InChI: InChI=1S/C24H12FN2O.C15H16N.Ir/c25-17-10-12-21(27-14-17)20-8-4-7-18-19-11-9-16(13-26)22(24(19)28-23(18)20)15-5-2-1-3-6-15;1-15(2,3)13-9-10-14(16-11-13)12-7-5-4-6-8-12;/h1-7,9-12,14H;4-7,9-11H,1-3H3;/q2*-1
• InChIKey: GCPZZGBXMGVTHF-UHFFFAOYSA-N
• XLogP: 9.97
• TPSA: 62.71 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 3
• Heavy Atoms: 45
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	765.89
LogP ≤ 5	9.97
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

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-phenylpyridine;6-(5-fluoro-2-pyridinyl)-4-phenyl-7H-dibenzofuran-7-ide-3-carbonitrile;iridium?

The IUPAC name of 5-tert-butyl-2-phenylpyridine;6-(5-fluoro-2-pyridinyl)-4-phenyl-7H-dibenzofuran-7-ide-3-carbonitrile;iridium (CID 168774915) is 5-tert-butyl-2-phenylpyridine;6-(5-fluoro-2-pyridinyl)-4-phenyl-7H-dibenzofuran-7-ide-3-carbonitrile;iridium.

What is the SMILES notation for 5-tert-butyl-2-phenylpyridine;6-(5-fluoro-2-pyridinyl)-4-phenyl-7H-dibenzofuran-7-ide-3-carbonitrile;iridium?

The canonical SMILES for 5-tert-butyl-2-phenylpyridine;6-(5-fluoro-2-pyridinyl)-4-phenyl-7H-dibenzofuran-7-ide-3-carbonitrile;iridium is CC(C)(C)c1ccc(-c2[c-]cccc2)nc1.N#Cc1ccc2c(oc3c(-c4ccc(F)cn4)[c-]ccc32)c1-c1ccccc1.[Ir].

What is the InChIKey of 5-tert-butyl-2-phenylpyridine;6-(5-fluoro-2-pyridinyl)-4-phenyl-7H-dibenzofuran-7-ide-3-carbonitrile;iridium?

The InChIKey is GCPZZGBXMGVTHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H12FN2O.C15H16N.Ir/c25-17-10-12-21(27-14-17)20-8-4-7-18-19-11-9-16(13-26)22(24(19)28-23(18)20)15-5-2-1-3-6-15;1-15(2,3)13-9-10-14(16-11-13)12-7-5-4-6-8-12;/h1-7,9-12,14H;4-7,9-11H,1-3H3;/q2*-1;.

What are the key properties of 5-tert-butyl-2-phenylpyridine;6-(5-fluoro-2-pyridinyl)-4-phenyl-7H-dibenzofuran-7-ide-3-carbonitrile;iridium?

5-tert-butyl-2-phenylpyridine;6-(5-fluoro-2-pyridinyl)-4-phenyl-7H-dibenzofuran-7-ide-3-carbonitrile;iridium has a molecular weight of 765.89 g/mol, XLogP of 9.97, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 5-tert-butyl-2-phenylpyridine;6-(5-fluoro-2-pyridinyl)-4-phenyl-7H-dibenzofuran-7-ide-3-carbonitrile;iridium is sourced from PubChem (CID 168774915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).