2-(3H-dibenzofuran-3-id-4-yl)-3-[2,6-di(propan-2-yl)phenyl]-4-methylimidazo[4,5-c]pyridine;iridium;trimethyl-[6-[4-(trideuteriomethyl)benzene-6-id-1-yl]-3-pyridinyl]germane

C46H46GeIrN4O-2 — CID 164825513

About 2-(3H-dibenzofuran-3-id-4-yl)-3-[2,6-di(propan-2-yl)phenyl]-4-methylimidazo[4,5-c]pyridine;iridium;trimethyl-[6-[4-(trideuteriomethyl)benzene-6-id-1-yl]-3-pyridinyl]germane

2-(3H-dibenzofuran-3-id-4-yl)-3-[2,6-di(propan-2-yl)phenyl]-4-methylimidazo[4,5-c]pyridine;iridium;trimethyl-[6-[4-(trideuteriomethyl)benzene-6-id-1-yl]-3-pyridinyl]germane (PubChem CID 164825513) has the molecular formula C46H46GeIrN4O-2 and a molecular weight of 938.75 g/mol. Its IUPAC name is 2-(3H-dibenzofuran-3-id-4-yl)-3-[2,6-di(propan-2-yl)phenyl]-4-methylimidazo[4,5-c]pyridine;iridium;trimethyl-[6-[4-(trideuteriomethyl)benzene-6-id-1-yl]-3-pyridinyl]germane.

Molecular Properties

• Compound Name: 2-(3H-dibenzofuran-3-id-4-yl)-3-[2,6-di(propan-2-yl)phenyl]-4-methylimidazo[4,5-c]pyridine;iridium;trimethyl-[6-[4-(trideuteriomethyl)benzene-6-id-1-yl]-3-pyridinyl]germane
• PubChem CID: 164825513
• Molecular Formula: C46H46GeIrN4O-2
• Molecular Weight: 938.75 g/mol
• Exact Mass: 940.27
• IUPAC Name: 2-(3H-dibenzofuran-3-id-4-yl)-3-[2,6-di(propan-2-yl)phenyl]-4-methylimidazo[4,5-c]pyridine;iridium;trimethyl-[6-[4-(trideuteriomethyl)benzene-6-id-1-yl]-3-pyridinyl]germane
• SMILES: Cc1nccc2nc(-c3[c-]ccc4c3oc3ccccc34)n(-c3c(C(C)C)cccc3C(C)C)c12.[2H]C([2H])([2H])c1c[c-]c(-c2ccc([Ge](C)(C)C)cn2)cc1.[Ir]
• InChI: InChI=1S/C31H28N3O.C15H18GeN.Ir/c1-18(2)21-11-8-12-22(19(3)4)29(21)34-28-20(5)32-17-16-26(28)33-31(34)25-14-9-13-24-23-10-6-7-15-27(23)35-30(24)25;1-12-5-7-13(8-6-12)15-10-9-14(11-17-15)16(2,3)4;/h6-13,15-19H,1-5H3;5-7,9-11H,1-4H3;/q2*-1;/i;1D3
• InChIKey: UFQSNVNTYKSFQQ-ICMJTWPQSA-N
• XLogP: 11.74
• TPSA: 56.74 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 53
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	938.75
LogP ≤ 5	11.74
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-(3H-dibenzofuran-3-id-4-yl)-3-[2,6-di(propan-2-yl)phenyl]-4-methylimidazo[4,5-c]pyridine;iridium;trimethyl-[6-[4-(trideuteriomethyl)benzene-6-id-1-yl]-3-pyridinyl]germane?

The IUPAC name of 2-(3H-dibenzofuran-3-id-4-yl)-3-[2,6-di(propan-2-yl)phenyl]-4-methylimidazo[4,5-c]pyridine;iridium;trimethyl-[6-[4-(trideuteriomethyl)benzene-6-id-1-yl]-3-pyridinyl]germane (CID 164825513) is 2-(3H-dibenzofuran-3-id-4-yl)-3-[2,6-di(propan-2-yl)phenyl]-4-methylimidazo[4,5-c]pyridine;iridium;trimethyl-[6-[4-(trideuteriomethyl)benzene-6-id-1-yl]-3-pyridinyl]germane.

What is the SMILES notation for 2-(3H-dibenzofuran-3-id-4-yl)-3-[2,6-di(propan-2-yl)phenyl]-4-methylimidazo[4,5-c]pyridine;iridium;trimethyl-[6-[4-(trideuteriomethyl)benzene-6-id-1-yl]-3-pyridinyl]germane?

The canonical SMILES for 2-(3H-dibenzofuran-3-id-4-yl)-3-[2,6-di(propan-2-yl)phenyl]-4-methylimidazo[4,5-c]pyridine;iridium;trimethyl-[6-[4-(trideuteriomethyl)benzene-6-id-1-yl]-3-pyridinyl]germane is Cc1nccc2nc(-c3[c-]ccc4c3oc3ccccc34)n(-c3c(C(C)C)cccc3C(C)C)c12.[2H]C([2H])([2H])c1c[c-]c(-c2ccc([Ge](C)(C)C)cn2)cc1.[Ir].

What is the InChIKey of 2-(3H-dibenzofuran-3-id-4-yl)-3-[2,6-di(propan-2-yl)phenyl]-4-methylimidazo[4,5-c]pyridine;iridium;trimethyl-[6-[4-(trideuteriomethyl)benzene-6-id-1-yl]-3-pyridinyl]germane?

The InChIKey is UFQSNVNTYKSFQQ-ICMJTWPQSA-N. The full InChI is InChI=1S/C31H28N3O.C15H18GeN.Ir/c1-18(2)21-11-8-12-22(19(3)4)29(21)34-28-20(5)32-17-16-26(28)33-31(34)25-14-9-13-24-23-10-6-7-15-27(23)35-30(24)25;1-12-5-7-13(8-6-12)15-10-9-14(11-17-15)16(2,3)4;/h6-13,15-19H,1-5H3;5-7,9-11H,1-4H3;/q2*-1;/i;1D3;.

What are the key properties of 2-(3H-dibenzofuran-3-id-4-yl)-3-[2,6-di(propan-2-yl)phenyl]-4-methylimidazo[4,5-c]pyridine;iridium;trimethyl-[6-[4-(trideuteriomethyl)benzene-6-id-1-yl]-3-pyridinyl]germane?

2-(3H-dibenzofuran-3-id-4-yl)-3-[2,6-di(propan-2-yl)phenyl]-4-methylimidazo[4,5-c]pyridine;iridium;trimethyl-[6-[4-(trideuteriomethyl)benzene-6-id-1-yl]-3-pyridinyl]germane has a molecular weight of 938.75 g/mol, XLogP of 11.74, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(3H-dibenzofuran-3-id-4-yl)-3-[2,6-di(propan-2-yl)phenyl]-4-methylimidazo[4,5-c]pyridine;iridium;trimethyl-[6-[4-(trideuteriomethyl)benzene-6-id-1-yl]-3-pyridinyl]germane is sourced from PubChem (CID 164825513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).