4-(2-deuteriopropan-2-yl)-2-(9-phenyl-4H-dibenzofuran-4-id-3-yl)pyridine;iridium;trimethyl-(4-methyl-6-phenyl-3-pyridinyl)germane

C41H38GeIrN2O-2 — CID 166578469

About 4-(2-deuteriopropan-2-yl)-2-(9-phenyl-4H-dibenzofuran-4-id-3-yl)pyridine;iridium;trimethyl-(4-methyl-6-phenyl-3-pyridinyl)germane

4-(2-deuteriopropan-2-yl)-2-(9-phenyl-4H-dibenzofuran-4-id-3-yl)pyridine;iridium;trimethyl-(4-methyl-6-phenyl-3-pyridinyl)germane (PubChem CID 166578469) has the molecular formula C41H38GeIrN2O-2 and a molecular weight of 840.60 g/mol. Its IUPAC name is 4-(2-deuteriopropan-2-yl)-2-(9-phenyl-4H-dibenzofuran-4-id-3-yl)pyridine;iridium;trimethyl-(4-methyl-6-phenyl-3-pyridinyl)germane.

Molecular Properties

• Compound Name: 4-(2-deuteriopropan-2-yl)-2-(9-phenyl-4H-dibenzofuran-4-id-3-yl)pyridine;iridium;trimethyl-(4-methyl-6-phenyl-3-pyridinyl)germane
• PubChem CID: 166578469
• Molecular Formula: C41H38GeIrN2O-2
• Molecular Weight: 840.60 g/mol
• Exact Mass: 842.19
• IUPAC Name: 4-(2-deuteriopropan-2-yl)-2-(9-phenyl-4H-dibenzofuran-4-id-3-yl)pyridine;iridium;trimethyl-(4-methyl-6-phenyl-3-pyridinyl)germane
• SMILES: Cc1cc(-c2[c-]cccc2)ncc1[Ge](C)(C)C.[2H]C(C)(C)c1ccnc(-c2[c-]c3oc4cccc(-c5ccccc5)c4c3cc2)c1.[Ir]
• InChI: InChI=1S/C26H20NO.C15H18GeN.Ir/c1-17(2)19-13-14-27-23(15-19)20-11-12-22-25(16-20)28-24-10-6-9-21(26(22)24)18-7-4-3-5-8-18;1-12-10-15(13-8-6-5-7-9-13)17-11-14(12)16(2,3)4;/h3-15,17H,1-2H3;5-8,10-11H,1-4H3;/q2*-1;/i17D
• InChIKey: FSBSJQDAEJEWCX-SMYCVDIJSA-N
• XLogP: 10.64
• TPSA: 38.92 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 5
• Heavy Atoms: 46
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	840.60
LogP ≤ 5	10.64
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

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)-2-(9-phenyl-4H-dibenzofuran-4-id-3-yl)pyridine;iridium;trimethyl-(4-methyl-6-phenyl-3-pyridinyl)germane?

The IUPAC name of 4-(2-deuteriopropan-2-yl)-2-(9-phenyl-4H-dibenzofuran-4-id-3-yl)pyridine;iridium;trimethyl-(4-methyl-6-phenyl-3-pyridinyl)germane (CID 166578469) is 4-(2-deuteriopropan-2-yl)-2-(9-phenyl-4H-dibenzofuran-4-id-3-yl)pyridine;iridium;trimethyl-(4-methyl-6-phenyl-3-pyridinyl)germane.

What is the SMILES notation for 4-(2-deuteriopropan-2-yl)-2-(9-phenyl-4H-dibenzofuran-4-id-3-yl)pyridine;iridium;trimethyl-(4-methyl-6-phenyl-3-pyridinyl)germane?

The canonical SMILES for 4-(2-deuteriopropan-2-yl)-2-(9-phenyl-4H-dibenzofuran-4-id-3-yl)pyridine;iridium;trimethyl-(4-methyl-6-phenyl-3-pyridinyl)germane is Cc1cc(-c2[c-]cccc2)ncc1[Ge](C)(C)C.[2H]C(C)(C)c1ccnc(-c2[c-]c3oc4cccc(-c5ccccc5)c4c3cc2)c1.[Ir].

What is the InChIKey of 4-(2-deuteriopropan-2-yl)-2-(9-phenyl-4H-dibenzofuran-4-id-3-yl)pyridine;iridium;trimethyl-(4-methyl-6-phenyl-3-pyridinyl)germane?

The InChIKey is FSBSJQDAEJEWCX-SMYCVDIJSA-N. The full InChI is InChI=1S/C26H20NO.C15H18GeN.Ir/c1-17(2)19-13-14-27-23(15-19)20-11-12-22-25(16-20)28-24-10-6-9-21(26(22)24)18-7-4-3-5-8-18;1-12-10-15(13-8-6-5-7-9-13)17-11-14(12)16(2,3)4;/h3-15,17H,1-2H3;5-8,10-11H,1-4H3;/q2*-1;/i17D;;.

What are the key properties of 4-(2-deuteriopropan-2-yl)-2-(9-phenyl-4H-dibenzofuran-4-id-3-yl)pyridine;iridium;trimethyl-(4-methyl-6-phenyl-3-pyridinyl)germane?

4-(2-deuteriopropan-2-yl)-2-(9-phenyl-4H-dibenzofuran-4-id-3-yl)pyridine;iridium;trimethyl-(4-methyl-6-phenyl-3-pyridinyl)germane has a molecular weight of 840.60 g/mol, XLogP of 10.64, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 4-(2-deuteriopropan-2-yl)-2-(9-phenyl-4H-dibenzofuran-4-id-3-yl)pyridine;iridium;trimethyl-(4-methyl-6-phenyl-3-pyridinyl)germane is sourced from PubChem (CID 166578469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).