4-(2-cyclopentylpropan-2-yl)-2-(7-phenyl-3H-dibenzofuran-3-id-4-yl)pyridine;iridium;trimethyl-[6-(2H-naphthalen-2-id-1-yl)-4-propan-2-yl-3-pyridinyl]silane

C52H52IrN2OSi-2 — CID 166576131

About 4-(2-cyclopentylpropan-2-yl)-2-(7-phenyl-3H-dibenzofuran-3-id-4-yl)pyridine;iridium;trimethyl-[6-(2H-naphthalen-2-id-1-yl)-4-propan-2-yl-3-pyridinyl]silane

4-(2-cyclopentylpropan-2-yl)-2-(7-phenyl-3H-dibenzofuran-3-id-4-yl)pyridine;iridium;trimethyl-[6-(2H-naphthalen-2-id-1-yl)-4-propan-2-yl-3-pyridinyl]silane (PubChem CID 166576131) has the molecular formula C52H52IrN2OSi-2 and a molecular weight of 941.30 g/mol. Its IUPAC name is 4-(2-cyclopentylpropan-2-yl)-2-(7-phenyl-3H-dibenzofuran-3-id-4-yl)pyridine;iridium;trimethyl-[6-(2H-naphthalen-2-id-1-yl)-4-propan-2-yl-3-pyridinyl]silane.

Molecular Properties

• Compound Name: 4-(2-cyclopentylpropan-2-yl)-2-(7-phenyl-3H-dibenzofuran-3-id-4-yl)pyridine;iridium;trimethyl-[6-(2H-naphthalen-2-id-1-yl)-4-propan-2-yl-3-pyridinyl]silane
• PubChem CID: 166576131
• Molecular Formula: C52H52IrN2OSi-2
• Molecular Weight: 941.30 g/mol
• Exact Mass: 941.35
• IUPAC Name: 4-(2-cyclopentylpropan-2-yl)-2-(7-phenyl-3H-dibenzofuran-3-id-4-yl)pyridine;iridium;trimethyl-[6-(2H-naphthalen-2-id-1-yl)-4-propan-2-yl-3-pyridinyl]silane
• SMILES: CC(C)(c1ccnc(-c2[c-]ccc3c2oc2cc(-c4ccccc4)ccc23)c1)C1CCCC1.CC(C)c1cc(-c2[c-]ccc3ccccc23)ncc1[Si](C)(C)C.[Ir]
• InChI: InChI=1S/C31H28NO.C21H24NSi.Ir/c1-31(2,23-11-6-7-12-23)24-17-18-32-28(20-24)27-14-8-13-26-25-16-15-22(19-29(25)33-30(26)27)21-9-4-3-5-10-21;1-15(2)19-13-20(22-14-21(19)23(3,4)5)18-12-8-10-16-9-6-7-11-17(16)18;/h3-5,8-10,13,15-20,23H,6-7,11-12H2,1-2H3;6-11,13-15H,1-5H3;/q2*-1
• InChIKey: KCGCLHAQEMCSHE-UHFFFAOYSA-N
• XLogP: 13.95
• TPSA: 38.92 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 7
• Heavy Atoms: 57
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	941.30
LogP ≤ 5	13.95
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

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-(2-cyclopentylpropan-2-yl)-2-(7-phenyl-3H-dibenzofuran-3-id-4-yl)pyridine;iridium;trimethyl-[6-(2H-naphthalen-2-id-1-yl)-4-propan-2-yl-3-pyridinyl]silane?

The IUPAC name of 4-(2-cyclopentylpropan-2-yl)-2-(7-phenyl-3H-dibenzofuran-3-id-4-yl)pyridine;iridium;trimethyl-[6-(2H-naphthalen-2-id-1-yl)-4-propan-2-yl-3-pyridinyl]silane (CID 166576131) is 4-(2-cyclopentylpropan-2-yl)-2-(7-phenyl-3H-dibenzofuran-3-id-4-yl)pyridine;iridium;trimethyl-[6-(2H-naphthalen-2-id-1-yl)-4-propan-2-yl-3-pyridinyl]silane.

What is the SMILES notation for 4-(2-cyclopentylpropan-2-yl)-2-(7-phenyl-3H-dibenzofuran-3-id-4-yl)pyridine;iridium;trimethyl-[6-(2H-naphthalen-2-id-1-yl)-4-propan-2-yl-3-pyridinyl]silane?

The canonical SMILES for 4-(2-cyclopentylpropan-2-yl)-2-(7-phenyl-3H-dibenzofuran-3-id-4-yl)pyridine;iridium;trimethyl-[6-(2H-naphthalen-2-id-1-yl)-4-propan-2-yl-3-pyridinyl]silane is CC(C)(c1ccnc(-c2[c-]ccc3c2oc2cc(-c4ccccc4)ccc23)c1)C1CCCC1.CC(C)c1cc(-c2[c-]ccc3ccccc23)ncc1[Si](C)(C)C.[Ir].

What is the InChIKey of 4-(2-cyclopentylpropan-2-yl)-2-(7-phenyl-3H-dibenzofuran-3-id-4-yl)pyridine;iridium;trimethyl-[6-(2H-naphthalen-2-id-1-yl)-4-propan-2-yl-3-pyridinyl]silane?

The InChIKey is KCGCLHAQEMCSHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H28NO.C21H24NSi.Ir/c1-31(2,23-11-6-7-12-23)24-17-18-32-28(20-24)27-14-8-13-26-25-16-15-22(19-29(25)33-30(26)27)21-9-4-3-5-10-21;1-15(2)19-13-20(22-14-21(19)23(3,4)5)18-12-8-10-16-9-6-7-11-17(16)18;/h3-5,8-10,13,15-20,23H,6-7,11-12H2,1-2H3;6-11,13-15H,1-5H3;/q2*-1;.

What are the key properties of 4-(2-cyclopentylpropan-2-yl)-2-(7-phenyl-3H-dibenzofuran-3-id-4-yl)pyridine;iridium;trimethyl-[6-(2H-naphthalen-2-id-1-yl)-4-propan-2-yl-3-pyridinyl]silane?

4-(2-cyclopentylpropan-2-yl)-2-(7-phenyl-3H-dibenzofuran-3-id-4-yl)pyridine;iridium;trimethyl-[6-(2H-naphthalen-2-id-1-yl)-4-propan-2-yl-3-pyridinyl]silane has a molecular weight of 941.30 g/mol, XLogP of 13.95, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 4-(2-cyclopentylpropan-2-yl)-2-(7-phenyl-3H-dibenzofuran-3-id-4-yl)pyridine;iridium;trimethyl-[6-(2H-naphthalen-2-id-1-yl)-4-propan-2-yl-3-pyridinyl]silane is sourced from PubChem (CID 166576131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).