[4-(2-deuteriopropan-2-yl)-6-phenyl-3-pyridinyl]-trimethylgermane;8-[1-[2,6-di(propan-2-yl)phenyl]-2H-benzimidazol-3-id-2-yl]-2-(trideuteriomethyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;iridium(3+)

C48H51GeIrN4O — CID 167365035

About [4-(2-deuteriopropan-2-yl)-6-phenyl-3-pyridinyl]-trimethylgermane;8-[1-[2,6-di(propan-2-yl)phenyl]-2H-benzimidazol-3-id-2-yl]-2-(trideuteriomethyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;iridium(3+)

[4-(2-deuteriopropan-2-yl)-6-phenyl-3-pyridinyl]-trimethylgermane;8-[1-[2,6-di(propan-2-yl)phenyl]-2H-benzimidazol-3-id-2-yl]-2-(trideuteriomethyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;iridium(3+) (PubChem CID 167365035) has the molecular formula C48H51GeIrN4O and a molecular weight of 968.81 g/mol. Its IUPAC name is [4-(2-deuteriopropan-2-yl)-6-phenyl-3-pyridinyl]-trimethylgermane;8-[1-[2,6-di(propan-2-yl)phenyl]-2H-benzimidazol-3-id-2-yl]-2-(trideuteriomethyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;iridium(3+).

Molecular Properties

• Compound Name: [4-(2-deuteriopropan-2-yl)-6-phenyl-3-pyridinyl]-trimethylgermane;8-[1-[2,6-di(propan-2-yl)phenyl]-2H-benzimidazol-3-id-2-yl]-2-(trideuteriomethyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;iridium(3+)
• PubChem CID: 167365035
• Molecular Formula: C48H51GeIrN4O
• Molecular Weight: 968.81 g/mol
• Exact Mass: 970.32
• IUPAC Name: [4-(2-deuteriopropan-2-yl)-6-phenyl-3-pyridinyl]-trimethylgermane;8-[1-[2,6-di(propan-2-yl)phenyl]-2H-benzimidazol-3-id-2-yl]-2-(trideuteriomethyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;iridium(3+)
• SMILES: [2H]C(C)(C)c1cc(-c2[c-]cccc2)ncc1[Ge](C)(C)C.[2H]C([2H])([2H])c1ccc2c(n1)oc1c(C3[N-]c4ccccc4N3c3c(C(C)C)cccc3C(C)C)[c-]ccc12.[Ir+3]
• InChI: InChI=1S/C31H29N3O.C17H22GeN.Ir/c1-18(2)21-10-8-11-22(19(3)4)28(21)34-27-15-7-6-14-26(27)33-30(34)25-13-9-12-23-24-17-16-20(5)32-31(24)35-29(23)25;1-13(2)15-11-17(14-9-7-6-8-10-14)19-12-16(15)18(3,4)5;/h6-12,14-19,30H,1-5H3;6-9,11-13H,1-5H3;/q-2;-1;+3/i5D3;13D
• InChIKey: HRJXMIIGPGDHCB-WAZYJWRRSA-N
• XLogP: 13.41
• TPSA: 56.26 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 8
• Heavy Atoms: 55
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	968.81
LogP ≤ 5	13.41
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of [4-(2-deuteriopropan-2-yl)-6-phenyl-3-pyridinyl]-trimethylgermane;8-[1-[2,6-di(propan-2-yl)phenyl]-2H-benzimidazol-3-id-2-yl]-2-(trideuteriomethyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;iridium(3+)?

The IUPAC name of [4-(2-deuteriopropan-2-yl)-6-phenyl-3-pyridinyl]-trimethylgermane;8-[1-[2,6-di(propan-2-yl)phenyl]-2H-benzimidazol-3-id-2-yl]-2-(trideuteriomethyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;iridium(3+) (CID 167365035) is [4-(2-deuteriopropan-2-yl)-6-phenyl-3-pyridinyl]-trimethylgermane;8-[1-[2,6-di(propan-2-yl)phenyl]-2H-benzimidazol-3-id-2-yl]-2-(trideuteriomethyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;iridium(3+).

What is the SMILES notation for [4-(2-deuteriopropan-2-yl)-6-phenyl-3-pyridinyl]-trimethylgermane;8-[1-[2,6-di(propan-2-yl)phenyl]-2H-benzimidazol-3-id-2-yl]-2-(trideuteriomethyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;iridium(3+)?

The canonical SMILES for [4-(2-deuteriopropan-2-yl)-6-phenyl-3-pyridinyl]-trimethylgermane;8-[1-[2,6-di(propan-2-yl)phenyl]-2H-benzimidazol-3-id-2-yl]-2-(trideuteriomethyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;iridium(3+) is [2H]C(C)(C)c1cc(-c2[c-]cccc2)ncc1[Ge](C)(C)C.[2H]C([2H])([2H])c1ccc2c(n1)oc1c(C3[N-]c4ccccc4N3c3c(C(C)C)cccc3C(C)C)[c-]ccc12.[Ir+3].

What is the InChIKey of [4-(2-deuteriopropan-2-yl)-6-phenyl-3-pyridinyl]-trimethylgermane;8-[1-[2,6-di(propan-2-yl)phenyl]-2H-benzimidazol-3-id-2-yl]-2-(trideuteriomethyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;iridium(3+)?

The InChIKey is HRJXMIIGPGDHCB-WAZYJWRRSA-N. The full InChI is InChI=1S/C31H29N3O.C17H22GeN.Ir/c1-18(2)21-10-8-11-22(19(3)4)28(21)34-27-15-7-6-14-26(27)33-30(34)25-13-9-12-23-24-17-16-20(5)32-31(24)35-29(23)25;1-13(2)15-11-17(14-9-7-6-8-10-14)19-12-16(15)18(3,4)5;/h6-12,14-19,30H,1-5H3;6-9,11-13H,1-5H3;/q-2;-1;+3/i5D3;13D;.

What are the key properties of [4-(2-deuteriopropan-2-yl)-6-phenyl-3-pyridinyl]-trimethylgermane;8-[1-[2,6-di(propan-2-yl)phenyl]-2H-benzimidazol-3-id-2-yl]-2-(trideuteriomethyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;iridium(3+)?

[4-(2-deuteriopropan-2-yl)-6-phenyl-3-pyridinyl]-trimethylgermane;8-[1-[2,6-di(propan-2-yl)phenyl]-2H-benzimidazol-3-id-2-yl]-2-(trideuteriomethyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;iridium(3+) has a molecular weight of 968.81 g/mol, XLogP of 13.41, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for [4-(2-deuteriopropan-2-yl)-6-phenyl-3-pyridinyl]-trimethylgermane;8-[1-[2,6-di(propan-2-yl)phenyl]-2H-benzimidazol-3-id-2-yl]-2-(trideuteriomethyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;iridium(3+) is sourced from PubChem (CID 167365035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).