iridium;2-(4-methylbenzene-6-id-1-yl)-4-(1-phenylethyl)pyridine;trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]silane

C38H42IrN2Si-2 — CID 162707114

About iridium;2-(4-methylbenzene-6-id-1-yl)-4-(1-phenylethyl)pyridine;trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]silane

iridium;2-(4-methylbenzene-6-id-1-yl)-4-(1-phenylethyl)pyridine;trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]silane (PubChem CID 162707114) has the molecular formula C38H42IrN2Si-2 and a molecular weight of 747.07 g/mol. Its IUPAC name is iridium;2-(4-methylbenzene-6-id-1-yl)-4-(1-phenylethyl)pyridine;trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]silane.

Molecular Properties

• Compound Name: iridium;2-(4-methylbenzene-6-id-1-yl)-4-(1-phenylethyl)pyridine;trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]silane
• PubChem CID: 162707114
• Molecular Formula: C38H42IrN2Si-2
• Molecular Weight: 747.07 g/mol
• Exact Mass: 747.28
• IUPAC Name: iridium;2-(4-methylbenzene-6-id-1-yl)-4-(1-phenylethyl)pyridine;trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]silane
• SMILES: CC(C)Cc1cc(-c2[c-]cccc2)ncc1[Si](C)(C)C.Cc1c[c-]c(-c2cc(C(C)c3ccccc3)ccn2)cc1.[Ir]
• InChI: InChI=1S/C20H18N.C18H24NSi.Ir/c1-15-8-10-18(11-9-15)20-14-19(12-13-21-20)16(2)17-6-4-3-5-7-17;1-14(2)11-16-12-17(15-9-7-6-8-10-15)19-13-18(16)20(3,4)5;/h3-10,12-14,16H,1-2H3;6-9,12-14H,11H2,1-5H3;/q2*-1
• InChIKey: WTPGGJGYKPKWAG-UHFFFAOYSA-N
• XLogP: 9.30
• TPSA: 25.78 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 7
• Heavy Atoms: 42
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	747.07
LogP ≤ 5	9.30
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 iridium;2-(4-methylbenzene-6-id-1-yl)-4-(1-phenylethyl)pyridine;trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]silane?

The IUPAC name of iridium;2-(4-methylbenzene-6-id-1-yl)-4-(1-phenylethyl)pyridine;trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]silane (CID 162707114) is iridium;2-(4-methylbenzene-6-id-1-yl)-4-(1-phenylethyl)pyridine;trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]silane.

What is the SMILES notation for iridium;2-(4-methylbenzene-6-id-1-yl)-4-(1-phenylethyl)pyridine;trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]silane?

The canonical SMILES for iridium;2-(4-methylbenzene-6-id-1-yl)-4-(1-phenylethyl)pyridine;trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]silane is CC(C)Cc1cc(-c2[c-]cccc2)ncc1[Si](C)(C)C.Cc1c[c-]c(-c2cc(C(C)c3ccccc3)ccn2)cc1.[Ir].

What is the InChIKey of iridium;2-(4-methylbenzene-6-id-1-yl)-4-(1-phenylethyl)pyridine;trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]silane?

The InChIKey is WTPGGJGYKPKWAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N.C18H24NSi.Ir/c1-15-8-10-18(11-9-15)20-14-19(12-13-21-20)16(2)17-6-4-3-5-7-17;1-14(2)11-16-12-17(15-9-7-6-8-10-15)19-13-18(16)20(3,4)5;/h3-10,12-14,16H,1-2H3;6-9,12-14H,11H2,1-5H3;/q2*-1;.

What are the key properties of iridium;2-(4-methylbenzene-6-id-1-yl)-4-(1-phenylethyl)pyridine;trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]silane?

iridium;2-(4-methylbenzene-6-id-1-yl)-4-(1-phenylethyl)pyridine;trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]silane has a molecular weight of 747.07 g/mol, XLogP of 9.30, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for iridium;2-(4-methylbenzene-6-id-1-yl)-4-(1-phenylethyl)pyridine;trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]silane is sourced from PubChem (CID 162707114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).