iridium;5-methyl-2-phenylpyridine;trimethyl-[6-methyl-4-(3-methyl-5-propan-2-yl-2-pyridinyl)-3H-dibenzofuran-3-id-1-yl]silane

C37H38IrN2OSi-2 — CID 164796738

About iridium;5-methyl-2-phenylpyridine;trimethyl-[6-methyl-4-(3-methyl-5-propan-2-yl-2-pyridinyl)-3H-dibenzofuran-3-id-1-yl]silane

iridium;5-methyl-2-phenylpyridine;trimethyl-[6-methyl-4-(3-methyl-5-propan-2-yl-2-pyridinyl)-3H-dibenzofuran-3-id-1-yl]silane (PubChem CID 164796738) has the molecular formula C37H38IrN2OSi-2 and a molecular weight of 747.03 g/mol. Its IUPAC name is iridium;5-methyl-2-phenylpyridine;trimethyl-[6-methyl-4-(3-methyl-5-propan-2-yl-2-pyridinyl)-3H-dibenzofuran-3-id-1-yl]silane.

Molecular Properties

• Compound Name: iridium;5-methyl-2-phenylpyridine;trimethyl-[6-methyl-4-(3-methyl-5-propan-2-yl-2-pyridinyl)-3H-dibenzofuran-3-id-1-yl]silane
• PubChem CID: 164796738
• Molecular Formula: C37H38IrN2OSi-2
• Molecular Weight: 747.03 g/mol
• Exact Mass: 747.24
• IUPAC Name: iridium;5-methyl-2-phenylpyridine;trimethyl-[6-methyl-4-(3-methyl-5-propan-2-yl-2-pyridinyl)-3H-dibenzofuran-3-id-1-yl]silane
• SMILES: Cc1cc(C(C)C)cnc1-c1[c-]cc([Si](C)(C)C)c2c1oc1c(C)cccc12.Cc1ccc(-c2[c-]cccc2)nc1.[Ir]
• InChI: InChI=1S/C25H28NOSi.C12H10N.Ir/c1-15(2)18-13-17(4)23(26-14-18)20-11-12-21(28(5,6)7)22-19-10-8-9-16(3)24(19)27-25(20)22;1-10-7-8-12(13-9-10)11-5-3-2-4-6-11;/h8-10,12-15H,1-7H3;2-5,7-9H,1H3;/q2*-1
• InChIKey: OGKWRYIEFPSRGO-UHFFFAOYSA-N
• XLogP: 9.59
• TPSA: 38.92 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 4
• Heavy Atoms: 42
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	747.03
LogP ≤ 5	9.59
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;5-methyl-2-phenylpyridine;trimethyl-[6-methyl-4-(3-methyl-5-propan-2-yl-2-pyridinyl)-3H-dibenzofuran-3-id-1-yl]silane?

The IUPAC name of iridium;5-methyl-2-phenylpyridine;trimethyl-[6-methyl-4-(3-methyl-5-propan-2-yl-2-pyridinyl)-3H-dibenzofuran-3-id-1-yl]silane (CID 164796738) is iridium;5-methyl-2-phenylpyridine;trimethyl-[6-methyl-4-(3-methyl-5-propan-2-yl-2-pyridinyl)-3H-dibenzofuran-3-id-1-yl]silane.

What is the SMILES notation for iridium;5-methyl-2-phenylpyridine;trimethyl-[6-methyl-4-(3-methyl-5-propan-2-yl-2-pyridinyl)-3H-dibenzofuran-3-id-1-yl]silane?

The canonical SMILES for iridium;5-methyl-2-phenylpyridine;trimethyl-[6-methyl-4-(3-methyl-5-propan-2-yl-2-pyridinyl)-3H-dibenzofuran-3-id-1-yl]silane is Cc1cc(C(C)C)cnc1-c1[c-]cc([Si](C)(C)C)c2c1oc1c(C)cccc12.Cc1ccc(-c2[c-]cccc2)nc1.[Ir].

What is the InChIKey of iridium;5-methyl-2-phenylpyridine;trimethyl-[6-methyl-4-(3-methyl-5-propan-2-yl-2-pyridinyl)-3H-dibenzofuran-3-id-1-yl]silane?

The InChIKey is OGKWRYIEFPSRGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28NOSi.C12H10N.Ir/c1-15(2)18-13-17(4)23(26-14-18)20-11-12-21(28(5,6)7)22-19-10-8-9-16(3)24(19)27-25(20)22;1-10-7-8-12(13-9-10)11-5-3-2-4-6-11;/h8-10,12-15H,1-7H3;2-5,7-9H,1H3;/q2*-1;.

What are the key properties of iridium;5-methyl-2-phenylpyridine;trimethyl-[6-methyl-4-(3-methyl-5-propan-2-yl-2-pyridinyl)-3H-dibenzofuran-3-id-1-yl]silane?

iridium;5-methyl-2-phenylpyridine;trimethyl-[6-methyl-4-(3-methyl-5-propan-2-yl-2-pyridinyl)-3H-dibenzofuran-3-id-1-yl]silane has a molecular weight of 747.03 g/mol, XLogP of 9.59, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for iridium;5-methyl-2-phenylpyridine;trimethyl-[6-methyl-4-(3-methyl-5-propan-2-yl-2-pyridinyl)-3H-dibenzofuran-3-id-1-yl]silane is sourced from PubChem (CID 164796738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).