iridium;2-phenylpyridine;trimethyl-[6-(3-phenylimidazo[4,5-b]pyridin-2-yl)-7H-dibenzofuran-7-id-3-yl]germane

C38H30GeIrN4O-2 — CID 164826362

About iridium;2-phenylpyridine;trimethyl-[6-(3-phenylimidazo[4,5-b]pyridin-2-yl)-7H-dibenzofuran-7-id-3-yl]germane

iridium;2-phenylpyridine;trimethyl-[6-(3-phenylimidazo[4,5-b]pyridin-2-yl)-7H-dibenzofuran-7-id-3-yl]germane (PubChem CID 164826362) has the molecular formula C38H30GeIrN4O-2 and a molecular weight of 823.51 g/mol. Its IUPAC name is iridium;2-phenylpyridine;trimethyl-[6-(3-phenylimidazo[4,5-b]pyridin-2-yl)-7H-dibenzofuran-7-id-3-yl]germane.

Molecular Properties

• Compound Name: iridium;2-phenylpyridine;trimethyl-[6-(3-phenylimidazo[4,5-b]pyridin-2-yl)-7H-dibenzofuran-7-id-3-yl]germane
• PubChem CID: 164826362
• Molecular Formula: C38H30GeIrN4O-2
• Molecular Weight: 823.51 g/mol
• Exact Mass: 825.13
• IUPAC Name: iridium;2-phenylpyridine;trimethyl-[6-(3-phenylimidazo[4,5-b]pyridin-2-yl)-7H-dibenzofuran-7-id-3-yl]germane
• SMILES: C[Ge](C)(C)c1ccc2c(c1)oc1c(-c3nc4cccnc4n3-c3ccccc3)[c-]ccc12.[Ir].[c-]1ccccc1-c1ccccn1
• InChI: InChI=1S/C27H22GeN3O.C11H8N.Ir/c1-28(2,3)18-14-15-20-21-11-7-12-22(25(21)32-24(20)17-18)26-30-23-13-8-16-29-27(23)31(26)19-9-5-4-6-10-19;1-2-6-10(7-3-1)11-8-4-5-9-12-11;/h4-11,13-17H,1-3H3;1-6,8-9H;/q2*-1
• InChIKey: UQKMDTSLVDLDNT-UHFFFAOYSA-N
• XLogP: 8.88
• TPSA: 56.74 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 45
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	823.51
LogP ≤ 5	8.88
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 iridium;2-phenylpyridine;trimethyl-[6-(3-phenylimidazo[4,5-b]pyridin-2-yl)-7H-dibenzofuran-7-id-3-yl]germane?

The IUPAC name of iridium;2-phenylpyridine;trimethyl-[6-(3-phenylimidazo[4,5-b]pyridin-2-yl)-7H-dibenzofuran-7-id-3-yl]germane (CID 164826362) is iridium;2-phenylpyridine;trimethyl-[6-(3-phenylimidazo[4,5-b]pyridin-2-yl)-7H-dibenzofuran-7-id-3-yl]germane.

What is the SMILES notation for iridium;2-phenylpyridine;trimethyl-[6-(3-phenylimidazo[4,5-b]pyridin-2-yl)-7H-dibenzofuran-7-id-3-yl]germane?

The canonical SMILES for iridium;2-phenylpyridine;trimethyl-[6-(3-phenylimidazo[4,5-b]pyridin-2-yl)-7H-dibenzofuran-7-id-3-yl]germane is C[Ge](C)(C)c1ccc2c(c1)oc1c(-c3nc4cccnc4n3-c3ccccc3)[c-]ccc12.[Ir].[c-]1ccccc1-c1ccccn1.

What is the InChIKey of iridium;2-phenylpyridine;trimethyl-[6-(3-phenylimidazo[4,5-b]pyridin-2-yl)-7H-dibenzofuran-7-id-3-yl]germane?

The InChIKey is UQKMDTSLVDLDNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H22GeN3O.C11H8N.Ir/c1-28(2,3)18-14-15-20-21-11-7-12-22(25(21)32-24(20)17-18)26-30-23-13-8-16-29-27(23)31(26)19-9-5-4-6-10-19;1-2-6-10(7-3-1)11-8-4-5-9-12-11;/h4-11,13-17H,1-3H3;1-6,8-9H;/q2*-1;.

What are the key properties of iridium;2-phenylpyridine;trimethyl-[6-(3-phenylimidazo[4,5-b]pyridin-2-yl)-7H-dibenzofuran-7-id-3-yl]germane?

iridium;2-phenylpyridine;trimethyl-[6-(3-phenylimidazo[4,5-b]pyridin-2-yl)-7H-dibenzofuran-7-id-3-yl]germane has a molecular weight of 823.51 g/mol, XLogP of 8.88, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for iridium;2-phenylpyridine;trimethyl-[6-(3-phenylimidazo[4,5-b]pyridin-2-yl)-7H-dibenzofuran-7-id-3-yl]germane is sourced from PubChem (CID 164826362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).