iridium;2-(3H-phenanthren-3-id-2-yl)pyridine;trimethyl-[6-(4-methyl-3-phenylbenzene-6-id-1-yl)-3-pyridinyl]silane

C40H34IrN2Si-2 — CID 164792166

About iridium;2-(3H-phenanthren-3-id-2-yl)pyridine;trimethyl-[6-(4-methyl-3-phenylbenzene-6-id-1-yl)-3-pyridinyl]silane

iridium;2-(3H-phenanthren-3-id-2-yl)pyridine;trimethyl-[6-(4-methyl-3-phenylbenzene-6-id-1-yl)-3-pyridinyl]silane (PubChem CID 164792166) has the molecular formula C40H34IrN2Si-2 and a molecular weight of 763.03 g/mol. Its IUPAC name is iridium;2-(3H-phenanthren-3-id-2-yl)pyridine;trimethyl-[6-(4-methyl-3-phenylbenzene-6-id-1-yl)-3-pyridinyl]silane.

Molecular Properties

• Compound Name: iridium;2-(3H-phenanthren-3-id-2-yl)pyridine;trimethyl-[6-(4-methyl-3-phenylbenzene-6-id-1-yl)-3-pyridinyl]silane
• PubChem CID: 164792166
• Molecular Formula: C40H34IrN2Si-2
• Molecular Weight: 763.03 g/mol
• Exact Mass: 763.21
• IUPAC Name: iridium;2-(3H-phenanthren-3-id-2-yl)pyridine;trimethyl-[6-(4-methyl-3-phenylbenzene-6-id-1-yl)-3-pyridinyl]silane
• SMILES: Cc1c[c-]c(-c2ccc([Si](C)(C)C)cn2)cc1-c1ccccc1.[Ir].[c-]1cc2c(ccc3ccccc32)cc1-c1ccccn1
• InChI: InChI=1S/C21H22NSi.C19H12N.Ir/c1-16-10-11-18(14-20(16)17-8-6-5-7-9-17)21-13-12-19(15-22-21)23(2,3)4;1-2-6-17-14(5-1)8-9-15-13-16(10-11-18(15)17)19-7-3-4-12-20-19;/h5-10,12-15H,1-4H3;1-9,11-13H;/q2*-1
• InChIKey: WTJNCGOMCBHTFS-UHFFFAOYSA-N
• XLogP: 9.92
• TPSA: 25.78 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 4
• Heavy Atoms: 44
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	763.03
LogP ≤ 5	9.92
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'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of iridium;2-(3H-phenanthren-3-id-2-yl)pyridine;trimethyl-[6-(4-methyl-3-phenylbenzene-6-id-1-yl)-3-pyridinyl]silane?

The IUPAC name of iridium;2-(3H-phenanthren-3-id-2-yl)pyridine;trimethyl-[6-(4-methyl-3-phenylbenzene-6-id-1-yl)-3-pyridinyl]silane (CID 164792166) is iridium;2-(3H-phenanthren-3-id-2-yl)pyridine;trimethyl-[6-(4-methyl-3-phenylbenzene-6-id-1-yl)-3-pyridinyl]silane.

What is the SMILES notation for iridium;2-(3H-phenanthren-3-id-2-yl)pyridine;trimethyl-[6-(4-methyl-3-phenylbenzene-6-id-1-yl)-3-pyridinyl]silane?

The canonical SMILES for iridium;2-(3H-phenanthren-3-id-2-yl)pyridine;trimethyl-[6-(4-methyl-3-phenylbenzene-6-id-1-yl)-3-pyridinyl]silane is Cc1c[c-]c(-c2ccc([Si](C)(C)C)cn2)cc1-c1ccccc1.[Ir].[c-]1cc2c(ccc3ccccc32)cc1-c1ccccn1.

What is the InChIKey of iridium;2-(3H-phenanthren-3-id-2-yl)pyridine;trimethyl-[6-(4-methyl-3-phenylbenzene-6-id-1-yl)-3-pyridinyl]silane?

The InChIKey is WTJNCGOMCBHTFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22NSi.C19H12N.Ir/c1-16-10-11-18(14-20(16)17-8-6-5-7-9-17)21-13-12-19(15-22-21)23(2,3)4;1-2-6-17-14(5-1)8-9-15-13-16(10-11-18(15)17)19-7-3-4-12-20-19;/h5-10,12-15H,1-4H3;1-9,11-13H;/q2*-1;.

What are the key properties of iridium;2-(3H-phenanthren-3-id-2-yl)pyridine;trimethyl-[6-(4-methyl-3-phenylbenzene-6-id-1-yl)-3-pyridinyl]silane?

iridium;2-(3H-phenanthren-3-id-2-yl)pyridine;trimethyl-[6-(4-methyl-3-phenylbenzene-6-id-1-yl)-3-pyridinyl]silane has a molecular weight of 763.03 g/mol, XLogP of 9.92, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for iridium;2-(3H-phenanthren-3-id-2-yl)pyridine;trimethyl-[6-(4-methyl-3-phenylbenzene-6-id-1-yl)-3-pyridinyl]silane is sourced from PubChem (CID 164792166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).