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

C54H42IrN2OSi-2 — CID 169039406

About iridium;2-(7-naphthalen-1-yl-3H-dibenzofuran-3-id-2-yl)-4-phenylpyridine;trimethyl-[4-methyl-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-[4-methyl-6-(3-phenylbenzene-6-id-1-yl)-3-pyridinyl]silane (PubChem CID 169039406) has the molecular formula C54H42IrN2OSi-2 and a molecular weight of 955.25 g/mol. Its IUPAC name is iridium;2-(7-naphthalen-1-yl-3H-dibenzofuran-3-id-2-yl)-4-phenylpyridine;trimethyl-[4-methyl-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-[4-methyl-6-(3-phenylbenzene-6-id-1-yl)-3-pyridinyl]silane
• PubChem CID: 169039406
• Molecular Formula: C54H42IrN2OSi-2
• Molecular Weight: 955.25 g/mol
• Exact Mass: 955.27
• IUPAC Name: iridium;2-(7-naphthalen-1-yl-3H-dibenzofuran-3-id-2-yl)-4-phenylpyridine;trimethyl-[4-methyl-6-(3-phenylbenzene-6-id-1-yl)-3-pyridinyl]silane
• SMILES: Cc1cc(-c2[c-]ccc(-c3ccccc3)c2)ncc1[Si](C)(C)C.[Ir].[c-]1cc2oc3cc(-c4cccc5ccccc45)ccc3c2cc1-c1cc(-c2ccccc2)ccn1
• InChI: InChI=1S/C33H20NO.C21H22NSi.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;1-16-13-20(22-15-21(16)23(2,3)4)19-12-8-11-18(14-19)17-9-6-5-7-10-17;/h1-13,15-21H;5-11,13-15H,1-4H3;/q2*-1
• InChIKey: OJGFFVPPSCGYMN-UHFFFAOYSA-N
• XLogP: 14.00
• TPSA: 38.92 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 6
• Heavy Atoms: 59
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	955.25
LogP ≤ 5	14.00
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-[4-methyl-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-[4-methyl-6-(3-phenylbenzene-6-id-1-yl)-3-pyridinyl]silane (CID 169039406) is iridium;2-(7-naphthalen-1-yl-3H-dibenzofuran-3-id-2-yl)-4-phenylpyridine;trimethyl-[4-methyl-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-[4-methyl-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-[4-methyl-6-(3-phenylbenzene-6-id-1-yl)-3-pyridinyl]silane is Cc1cc(-c2[c-]ccc(-c3ccccc3)c2)ncc1[Si](C)(C)C.[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-[4-methyl-6-(3-phenylbenzene-6-id-1-yl)-3-pyridinyl]silane?

The InChIKey is OJGFFVPPSCGYMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H20NO.C21H22NSi.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;1-16-13-20(22-15-21(16)23(2,3)4)19-12-8-11-18(14-19)17-9-6-5-7-10-17;/h1-13,15-21H;5-11,13-15H,1-4H3;/q2*-1;.

What are the key properties of iridium;2-(7-naphthalen-1-yl-3H-dibenzofuran-3-id-2-yl)-4-phenylpyridine;trimethyl-[4-methyl-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-[4-methyl-6-(3-phenylbenzene-6-id-1-yl)-3-pyridinyl]silane has a molecular weight of 955.25 g/mol, XLogP of 14.00, 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-[4-methyl-6-(3-phenylbenzene-6-id-1-yl)-3-pyridinyl]silane is sourced from PubChem (CID 169039406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).