[6-(4-fluorobenzene-6-id-1-yl)-3-pyridinyl]-trimethylsilane;iridium;2-(2H-naphthalen-2-id-1-yl)-4-(2-phenylpropan-2-yl)pyridine

C38H35FIrN2Si-2 — CID 162709288

About [6-(4-fluorobenzene-6-id-1-yl)-3-pyridinyl]-trimethylsilane;iridium;2-(2H-naphthalen-2-id-1-yl)-4-(2-phenylpropan-2-yl)pyridine

[6-(4-fluorobenzene-6-id-1-yl)-3-pyridinyl]-trimethylsilane;iridium;2-(2H-naphthalen-2-id-1-yl)-4-(2-phenylpropan-2-yl)pyridine (PubChem CID 162709288) has the molecular formula C38H35FIrN2Si-2 and a molecular weight of 759.01 g/mol. Its IUPAC name is [6-(4-fluorobenzene-6-id-1-yl)-3-pyridinyl]-trimethylsilane;iridium;2-(2H-naphthalen-2-id-1-yl)-4-(2-phenylpropan-2-yl)pyridine.

Molecular Properties

• Compound Name: [6-(4-fluorobenzene-6-id-1-yl)-3-pyridinyl]-trimethylsilane;iridium;2-(2H-naphthalen-2-id-1-yl)-4-(2-phenylpropan-2-yl)pyridine
• PubChem CID: 162709288
• Molecular Formula: C38H35FIrN2Si-2
• Molecular Weight: 759.01 g/mol
• Exact Mass: 759.22
• IUPAC Name: [6-(4-fluorobenzene-6-id-1-yl)-3-pyridinyl]-trimethylsilane;iridium;2-(2H-naphthalen-2-id-1-yl)-4-(2-phenylpropan-2-yl)pyridine
• SMILES: CC(C)(c1ccccc1)c1ccnc(-c2[c-]ccc3ccccc23)c1.C[Si](C)(C)c1ccc(-c2[c-]cc(F)cc2)nc1.[Ir]
• InChI: InChI=1S/C24H20N.C14H15FNSi.Ir/c1-24(2,19-11-4-3-5-12-19)20-15-16-25-23(17-20)22-14-8-10-18-9-6-7-13-21(18)22;1-17(2,3)13-8-9-14(16-10-13)11-4-6-12(15)7-5-11;/h3-13,15-17H,1-2H3;4,6-10H,1-3H3;/q2*-1
• InChIKey: NOZJWELJTKLSML-UHFFFAOYSA-N
• XLogP: 9.26
• TPSA: 25.78 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 5
• Heavy Atoms: 43
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	759.01
LogP ≤ 5	9.26
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

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 [6-(4-fluorobenzene-6-id-1-yl)-3-pyridinyl]-trimethylsilane;iridium;2-(2H-naphthalen-2-id-1-yl)-4-(2-phenylpropan-2-yl)pyridine?

The IUPAC name of [6-(4-fluorobenzene-6-id-1-yl)-3-pyridinyl]-trimethylsilane;iridium;2-(2H-naphthalen-2-id-1-yl)-4-(2-phenylpropan-2-yl)pyridine (CID 162709288) is [6-(4-fluorobenzene-6-id-1-yl)-3-pyridinyl]-trimethylsilane;iridium;2-(2H-naphthalen-2-id-1-yl)-4-(2-phenylpropan-2-yl)pyridine.

What is the SMILES notation for [6-(4-fluorobenzene-6-id-1-yl)-3-pyridinyl]-trimethylsilane;iridium;2-(2H-naphthalen-2-id-1-yl)-4-(2-phenylpropan-2-yl)pyridine?

The canonical SMILES for [6-(4-fluorobenzene-6-id-1-yl)-3-pyridinyl]-trimethylsilane;iridium;2-(2H-naphthalen-2-id-1-yl)-4-(2-phenylpropan-2-yl)pyridine is CC(C)(c1ccccc1)c1ccnc(-c2[c-]ccc3ccccc23)c1.C[Si](C)(C)c1ccc(-c2[c-]cc(F)cc2)nc1.[Ir].

What is the InChIKey of [6-(4-fluorobenzene-6-id-1-yl)-3-pyridinyl]-trimethylsilane;iridium;2-(2H-naphthalen-2-id-1-yl)-4-(2-phenylpropan-2-yl)pyridine?

The InChIKey is NOZJWELJTKLSML-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20N.C14H15FNSi.Ir/c1-24(2,19-11-4-3-5-12-19)20-15-16-25-23(17-20)22-14-8-10-18-9-6-7-13-21(18)22;1-17(2,3)13-8-9-14(16-10-13)11-4-6-12(15)7-5-11;/h3-13,15-17H,1-2H3;4,6-10H,1-3H3;/q2*-1;.

What are the key properties of [6-(4-fluorobenzene-6-id-1-yl)-3-pyridinyl]-trimethylsilane;iridium;2-(2H-naphthalen-2-id-1-yl)-4-(2-phenylpropan-2-yl)pyridine?

[6-(4-fluorobenzene-6-id-1-yl)-3-pyridinyl]-trimethylsilane;iridium;2-(2H-naphthalen-2-id-1-yl)-4-(2-phenylpropan-2-yl)pyridine has a molecular weight of 759.01 g/mol, XLogP of 9.26, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for [6-(4-fluorobenzene-6-id-1-yl)-3-pyridinyl]-trimethylsilane;iridium;2-(2H-naphthalen-2-id-1-yl)-4-(2-phenylpropan-2-yl)pyridine is sourced from PubChem (CID 162709288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).