iridium;2-(7-naphthalen-1-yl-3H-dibenzofuran-3-id-2-yl)-4-phenylpyridine;trimethyl-[6-(3-phenylbenzene-6-id-1-yl)-3-pyridinyl]silane

C53H40IrN2OSi-2 — CID 169038570

About iridium;2-(7-naphthalen-1-yl-3H-dibenzofuran-3-id-2-yl)-4-phenylpyridine;trimethyl-[6-(3-phenylbenzene-6-id-1-yl)-3-pyridinyl]silane

iridium;2-(7-naphthalen-1-yl-3H-dibenzofuran-3-id-2-yl)-4-phenylpyridine;trimethyl-[6-(3-phenylbenzene-6-id-1-yl)-3-pyridinyl]silane (PubChem CID 169038570) has the molecular formula C53H40IrN2OSi-2 and a molecular weight of 941.22 g/mol. Its IUPAC name is iridium;2-(7-naphthalen-1-yl-3H-dibenzofuran-3-id-2-yl)-4-phenylpyridine;trimethyl-[6-(3-phenylbenzene-6-id-1-yl)-3-pyridinyl]silane.

Molecular Properties

• Compound Name: iridium;2-(7-naphthalen-1-yl-3H-dibenzofuran-3-id-2-yl)-4-phenylpyridine;trimethyl-[6-(3-phenylbenzene-6-id-1-yl)-3-pyridinyl]silane
• PubChem CID: 169038570
• Molecular Formula: C53H40IrN2OSi-2
• Molecular Weight: 941.22 g/mol
• Exact Mass: 941.26
• IUPAC Name: iridium;2-(7-naphthalen-1-yl-3H-dibenzofuran-3-id-2-yl)-4-phenylpyridine;trimethyl-[6-(3-phenylbenzene-6-id-1-yl)-3-pyridinyl]silane
• SMILES: C[Si](C)(C)c1ccc(-c2[c-]ccc(-c3ccccc3)c2)nc1.[Ir].[c-]1cc2oc3cc(-c4cccc5ccccc45)ccc3c2cc1-c1cc(-c2ccccc2)ccn1
• InChI: InChI=1S/C33H20NO.C20H20NSi.Ir/c1-2-7-22(8-3-1)24-17-18-34-31(20-24)26-14-16-32-30(19-26)29-15-13-25(21-33(29)35-32)28-12-6-10-23-9-4-5-11-27(23)28;1-22(2,3)19-12-13-20(21-15-19)18-11-7-10-17(14-18)16-8-5-4-6-9-16;/h1-13,15-21H;4-10,12-15H,1-3H3;/q2*-1
• InChIKey: PLWIRGJNOAWUKS-UHFFFAOYSA-N
• XLogP: 13.69
• TPSA: 38.92 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 6
• Heavy Atoms: 58
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	941.22
LogP ≤ 5	13.69
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 iridium;2-(7-naphthalen-1-yl-3H-dibenzofuran-3-id-2-yl)-4-phenylpyridine;trimethyl-[6-(3-phenylbenzene-6-id-1-yl)-3-pyridinyl]silane?

The IUPAC name of iridium;2-(7-naphthalen-1-yl-3H-dibenzofuran-3-id-2-yl)-4-phenylpyridine;trimethyl-[6-(3-phenylbenzene-6-id-1-yl)-3-pyridinyl]silane (CID 169038570) is iridium;2-(7-naphthalen-1-yl-3H-dibenzofuran-3-id-2-yl)-4-phenylpyridine;trimethyl-[6-(3-phenylbenzene-6-id-1-yl)-3-pyridinyl]silane.

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

The canonical SMILES for iridium;2-(7-naphthalen-1-yl-3H-dibenzofuran-3-id-2-yl)-4-phenylpyridine;trimethyl-[6-(3-phenylbenzene-6-id-1-yl)-3-pyridinyl]silane is C[Si](C)(C)c1ccc(-c2[c-]ccc(-c3ccccc3)c2)nc1.[Ir].[c-]1cc2oc3cc(-c4cccc5ccccc45)ccc3c2cc1-c1cc(-c2ccccc2)ccn1.

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

The InChIKey is PLWIRGJNOAWUKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H20NO.C20H20NSi.Ir/c1-2-7-22(8-3-1)24-17-18-34-31(20-24)26-14-16-32-30(19-26)29-15-13-25(21-33(29)35-32)28-12-6-10-23-9-4-5-11-27(23)28;1-22(2,3)19-12-13-20(21-15-19)18-11-7-10-17(14-18)16-8-5-4-6-9-16;/h1-13,15-21H;4-10,12-15H,1-3H3;/q2*-1;.

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

iridium;2-(7-naphthalen-1-yl-3H-dibenzofuran-3-id-2-yl)-4-phenylpyridine;trimethyl-[6-(3-phenylbenzene-6-id-1-yl)-3-pyridinyl]silane has a molecular weight of 941.22 g/mol, XLogP of 13.69, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for iridium;2-(7-naphthalen-1-yl-3H-dibenzofuran-3-id-2-yl)-4-phenylpyridine;trimethyl-[6-(3-phenylbenzene-6-id-1-yl)-3-pyridinyl]silane is sourced from PubChem (CID 169038570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).