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

C37H33FIrN2Si-2 — CID 162707677

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

[6-(4-fluorobenzene-6-id-1-yl)-3-pyridinyl]-trimethylsilane;iridium;2-(2H-naphthalen-2-id-1-yl)-4-(1-phenylethyl)pyridine (PubChem CID 162707677) has the molecular formula C37H33FIrN2Si-2 and a molecular weight of 744.99 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-(1-phenylethyl)pyridine.

Molecular Properties

• Compound Name: [6-(4-fluorobenzene-6-id-1-yl)-3-pyridinyl]-trimethylsilane;iridium;2-(2H-naphthalen-2-id-1-yl)-4-(1-phenylethyl)pyridine
• PubChem CID: 162707677
• Molecular Formula: C37H33FIrN2Si-2
• Molecular Weight: 744.99 g/mol
• Exact Mass: 745.20
• IUPAC Name: [6-(4-fluorobenzene-6-id-1-yl)-3-pyridinyl]-trimethylsilane;iridium;2-(2H-naphthalen-2-id-1-yl)-4-(1-phenylethyl)pyridine
• SMILES: CC(c1ccccc1)c1ccnc(-c2[c-]ccc3ccccc23)c1.C[Si](C)(C)c1ccc(-c2[c-]cc(F)cc2)nc1.[Ir]
• InChI: InChI=1S/C23H18N.C14H15FNSi.Ir/c1-17(18-8-3-2-4-9-18)20-14-15-24-23(16-20)22-13-7-11-19-10-5-6-12-21(19)22;1-17(2,3)13-8-9-14(16-10-13)11-4-6-12(15)7-5-11;/h2-12,14-17H,1H3;4,6-10H,1-3H3;/q2*-1
• InChIKey: SXVOXKOQFNQPRN-UHFFFAOYSA-N
• XLogP: 9.08
• TPSA: 25.78 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 5
• Heavy Atoms: 42
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	744.99
LogP ≤ 5	9.08
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-(1-phenylethyl)pyridine?

The IUPAC name of [6-(4-fluorobenzene-6-id-1-yl)-3-pyridinyl]-trimethylsilane;iridium;2-(2H-naphthalen-2-id-1-yl)-4-(1-phenylethyl)pyridine (CID 162707677) is [6-(4-fluorobenzene-6-id-1-yl)-3-pyridinyl]-trimethylsilane;iridium;2-(2H-naphthalen-2-id-1-yl)-4-(1-phenylethyl)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-(1-phenylethyl)pyridine?

The canonical SMILES for [6-(4-fluorobenzene-6-id-1-yl)-3-pyridinyl]-trimethylsilane;iridium;2-(2H-naphthalen-2-id-1-yl)-4-(1-phenylethyl)pyridine is CC(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-(1-phenylethyl)pyridine?

The InChIKey is SXVOXKOQFNQPRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18N.C14H15FNSi.Ir/c1-17(18-8-3-2-4-9-18)20-14-15-24-23(16-20)22-13-7-11-19-10-5-6-12-21(19)22;1-17(2,3)13-8-9-14(16-10-13)11-4-6-12(15)7-5-11;/h2-12,14-17H,1H3;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-(1-phenylethyl)pyridine?

[6-(4-fluorobenzene-6-id-1-yl)-3-pyridinyl]-trimethylsilane;iridium;2-(2H-naphthalen-2-id-1-yl)-4-(1-phenylethyl)pyridine has a molecular weight of 744.99 g/mol, XLogP of 9.08, 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-(1-phenylethyl)pyridine is sourced from PubChem (CID 162707677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).