8-[4-[4-(1-deuterio-4,4-dimethylcyclohexyl)-2-(trideuteriomethyl)phenyl]-5-(trideuteriomethyl)-2-pyridinyl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide-2-carbonitrile;iridium;trimethyl-(6-phenyl-3-pyridinyl)germane

C47H46GeIrN4O-2 — CID 170521593

About 8-[4-[4-(1-deuterio-4,4-dimethylcyclohexyl)-2-(trideuteriomethyl)phenyl]-5-(trideuteriomethyl)-2-pyridinyl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide-2-carbonitrile;iridium;trimethyl-(6-phenyl-3-pyridinyl)germane

8-[4-[4-(1-deuterio-4,4-dimethylcyclohexyl)-2-(trideuteriomethyl)phenyl]-5-(trideuteriomethyl)-2-pyridinyl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide-2-carbonitrile;iridium;trimethyl-(6-phenyl-3-pyridinyl)germane (PubChem CID 170521593) has the molecular formula C47H46GeIrN4O-2 and a molecular weight of 954.78 g/mol. Its IUPAC name is 8-[4-[4-(1-deuterio-4,4-dimethylcyclohexyl)-2-(trideuteriomethyl)phenyl]-5-(trideuteriomethyl)-2-pyridinyl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide-2-carbonitrile;iridium;trimethyl-(6-phenyl-3-pyridinyl)germane.

Molecular Properties

• Compound Name: 8-[4-[4-(1-deuterio-4,4-dimethylcyclohexyl)-2-(trideuteriomethyl)phenyl]-5-(trideuteriomethyl)-2-pyridinyl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide-2-carbonitrile;iridium;trimethyl-(6-phenyl-3-pyridinyl)germane
• PubChem CID: 170521593
• Molecular Formula: C47H46GeIrN4O-2
• Molecular Weight: 954.78 g/mol
• Exact Mass: 956.30
• IUPAC Name: 8-[4-[4-(1-deuterio-4,4-dimethylcyclohexyl)-2-(trideuteriomethyl)phenyl]-5-(trideuteriomethyl)-2-pyridinyl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide-2-carbonitrile;iridium;trimethyl-(6-phenyl-3-pyridinyl)germane
• SMILES: C[Ge](C)(C)c1ccc(-c2[c-]cccc2)nc1.[2H]C([2H])([2H])c1cnc(-c2[c-]ccc3c2oc2nc(C#N)ccc23)cc1-c1ccc(C2([2H])CCC(C)(C)CC2)cc1C([2H])([2H])[2H].[Ir]
• InChI: InChI=1S/C33H30N3O.C14H16GeN.Ir/c1-20-16-23(22-12-14-33(3,4)15-13-22)8-10-25(20)29-17-30(35-19-21(29)2)28-7-5-6-26-27-11-9-24(18-34)36-32(27)37-31(26)28;1-15(2,3)13-9-10-14(16-11-13)12-7-5-4-6-8-12;/h5-6,8-11,16-17,19,22H,12-15H2,1-4H3;4-7,9-11H,1-3H3;/q2*-1;/i1D3,2D3,22D
• InChIKey: BXXSZXQANAPROD-IWYGQUMVSA-N
• XLogP: 11.77
• TPSA: 75.60 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 54
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	954.78
LogP ≤ 5	11.77
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 8-[4-[4-(1-deuterio-4,4-dimethylcyclohexyl)-2-(trideuteriomethyl)phenyl]-5-(trideuteriomethyl)-2-pyridinyl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide-2-carbonitrile;iridium;trimethyl-(6-phenyl-3-pyridinyl)germane?

The IUPAC name of 8-[4-[4-(1-deuterio-4,4-dimethylcyclohexyl)-2-(trideuteriomethyl)phenyl]-5-(trideuteriomethyl)-2-pyridinyl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide-2-carbonitrile;iridium;trimethyl-(6-phenyl-3-pyridinyl)germane (CID 170521593) is 8-[4-[4-(1-deuterio-4,4-dimethylcyclohexyl)-2-(trideuteriomethyl)phenyl]-5-(trideuteriomethyl)-2-pyridinyl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide-2-carbonitrile;iridium;trimethyl-(6-phenyl-3-pyridinyl)germane.

What is the SMILES notation for 8-[4-[4-(1-deuterio-4,4-dimethylcyclohexyl)-2-(trideuteriomethyl)phenyl]-5-(trideuteriomethyl)-2-pyridinyl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide-2-carbonitrile;iridium;trimethyl-(6-phenyl-3-pyridinyl)germane?

The canonical SMILES for 8-[4-[4-(1-deuterio-4,4-dimethylcyclohexyl)-2-(trideuteriomethyl)phenyl]-5-(trideuteriomethyl)-2-pyridinyl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide-2-carbonitrile;iridium;trimethyl-(6-phenyl-3-pyridinyl)germane is C[Ge](C)(C)c1ccc(-c2[c-]cccc2)nc1.[2H]C([2H])([2H])c1cnc(-c2[c-]ccc3c2oc2nc(C#N)ccc23)cc1-c1ccc(C2([2H])CCC(C)(C)CC2)cc1C([2H])([2H])[2H].[Ir].

What is the InChIKey of 8-[4-[4-(1-deuterio-4,4-dimethylcyclohexyl)-2-(trideuteriomethyl)phenyl]-5-(trideuteriomethyl)-2-pyridinyl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide-2-carbonitrile;iridium;trimethyl-(6-phenyl-3-pyridinyl)germane?

The InChIKey is BXXSZXQANAPROD-IWYGQUMVSA-N. The full InChI is InChI=1S/C33H30N3O.C14H16GeN.Ir/c1-20-16-23(22-12-14-33(3,4)15-13-22)8-10-25(20)29-17-30(35-19-21(29)2)28-7-5-6-26-27-11-9-24(18-34)36-32(27)37-31(26)28;1-15(2,3)13-9-10-14(16-11-13)12-7-5-4-6-8-12;/h5-6,8-11,16-17,19,22H,12-15H2,1-4H3;4-7,9-11H,1-3H3;/q2*-1;/i1D3,2D3,22D;;.

What are the key properties of 8-[4-[4-(1-deuterio-4,4-dimethylcyclohexyl)-2-(trideuteriomethyl)phenyl]-5-(trideuteriomethyl)-2-pyridinyl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide-2-carbonitrile;iridium;trimethyl-(6-phenyl-3-pyridinyl)germane?

8-[4-[4-(1-deuterio-4,4-dimethylcyclohexyl)-2-(trideuteriomethyl)phenyl]-5-(trideuteriomethyl)-2-pyridinyl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide-2-carbonitrile;iridium;trimethyl-(6-phenyl-3-pyridinyl)germane has a molecular weight of 954.78 g/mol, XLogP of 11.77, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 8-[4-[4-(1-deuterio-4,4-dimethylcyclohexyl)-2-(trideuteriomethyl)phenyl]-5-(trideuteriomethyl)-2-pyridinyl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide-2-carbonitrile;iridium;trimethyl-(6-phenyl-3-pyridinyl)germane is sourced from PubChem (CID 170521593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).