[4-(2-deuteriopropan-2-yl)-6-phenyl-3-pyridinyl]-trimethylgermane;2-(2H-dibenzo-p-dioxin-2-id-1-yl)-1-[2,6-di(propan-2-yl)phenyl]benzimidazole;iridium

C48H49GeIrN3O2-2 — CID 171460381

About [4-(2-deuteriopropan-2-yl)-6-phenyl-3-pyridinyl]-trimethylgermane;2-(2H-dibenzo-p-dioxin-2-id-1-yl)-1-[2,6-di(propan-2-yl)phenyl]benzimidazole;iridium

[4-(2-deuteriopropan-2-yl)-6-phenyl-3-pyridinyl]-trimethylgermane;2-(2H-dibenzo-p-dioxin-2-id-1-yl)-1-[2,6-di(propan-2-yl)phenyl]benzimidazole;iridium (PubChem CID 171460381) has the molecular formula C48H49GeIrN3O2-2 and a molecular weight of 965.77 g/mol. Its IUPAC name is [4-(2-deuteriopropan-2-yl)-6-phenyl-3-pyridinyl]-trimethylgermane;2-(2H-dibenzo-p-dioxin-2-id-1-yl)-1-[2,6-di(propan-2-yl)phenyl]benzimidazole;iridium.

Molecular Properties

• Compound Name: [4-(2-deuteriopropan-2-yl)-6-phenyl-3-pyridinyl]-trimethylgermane;2-(2H-dibenzo-p-dioxin-2-id-1-yl)-1-[2,6-di(propan-2-yl)phenyl]benzimidazole;iridium
• PubChem CID: 171460381
• Molecular Formula: C48H49GeIrN3O2-2
• Molecular Weight: 965.77 g/mol
• Exact Mass: 967.27
• IUPAC Name: [4-(2-deuteriopropan-2-yl)-6-phenyl-3-pyridinyl]-trimethylgermane;2-(2H-dibenzo-p-dioxin-2-id-1-yl)-1-[2,6-di(propan-2-yl)phenyl]benzimidazole;iridium
• SMILES: CC(C)c1cccc(C(C)C)c1-n1c(-c2[c-]ccc3c2Oc2ccccc2O3)nc2ccccc21.[2H]C(C)(C)c1cc(-c2[c-]cccc2)ncc1[Ge](C)(C)C.[Ir]
• InChI: InChI=1S/C31H27N2O2.C17H22GeN.Ir/c1-19(2)21-11-9-12-22(20(3)4)29(21)33-25-15-6-5-14-24(25)32-31(33)23-13-10-18-28-30(23)35-27-17-8-7-16-26(27)34-28;1-13(2)15-11-17(14-9-7-6-8-10-14)19-12-16(15)18(3,4)5;/h5-12,14-20H,1-4H3;6-9,11-13H,1-5H3;/q2*-1;/i;13D
• InChIKey: KSBXKDIMZASIDF-LTBAMTPYSA-N
• XLogP: 12.85
• TPSA: 49.17 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 55
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	965.77
LogP ≤ 5	12.85
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 [4-(2-deuteriopropan-2-yl)-6-phenyl-3-pyridinyl]-trimethylgermane;2-(2H-dibenzo-p-dioxin-2-id-1-yl)-1-[2,6-di(propan-2-yl)phenyl]benzimidazole;iridium?

The IUPAC name of [4-(2-deuteriopropan-2-yl)-6-phenyl-3-pyridinyl]-trimethylgermane;2-(2H-dibenzo-p-dioxin-2-id-1-yl)-1-[2,6-di(propan-2-yl)phenyl]benzimidazole;iridium (CID 171460381) is [4-(2-deuteriopropan-2-yl)-6-phenyl-3-pyridinyl]-trimethylgermane;2-(2H-dibenzo-p-dioxin-2-id-1-yl)-1-[2,6-di(propan-2-yl)phenyl]benzimidazole;iridium.

What is the SMILES notation for [4-(2-deuteriopropan-2-yl)-6-phenyl-3-pyridinyl]-trimethylgermane;2-(2H-dibenzo-p-dioxin-2-id-1-yl)-1-[2,6-di(propan-2-yl)phenyl]benzimidazole;iridium?

The canonical SMILES for [4-(2-deuteriopropan-2-yl)-6-phenyl-3-pyridinyl]-trimethylgermane;2-(2H-dibenzo-p-dioxin-2-id-1-yl)-1-[2,6-di(propan-2-yl)phenyl]benzimidazole;iridium is CC(C)c1cccc(C(C)C)c1-n1c(-c2[c-]ccc3c2Oc2ccccc2O3)nc2ccccc21.[2H]C(C)(C)c1cc(-c2[c-]cccc2)ncc1[Ge](C)(C)C.[Ir].

What is the InChIKey of [4-(2-deuteriopropan-2-yl)-6-phenyl-3-pyridinyl]-trimethylgermane;2-(2H-dibenzo-p-dioxin-2-id-1-yl)-1-[2,6-di(propan-2-yl)phenyl]benzimidazole;iridium?

The InChIKey is KSBXKDIMZASIDF-LTBAMTPYSA-N. The full InChI is InChI=1S/C31H27N2O2.C17H22GeN.Ir/c1-19(2)21-11-9-12-22(20(3)4)29(21)33-25-15-6-5-14-24(25)32-31(33)23-13-10-18-28-30(23)35-27-17-8-7-16-26(27)34-28;1-13(2)15-11-17(14-9-7-6-8-10-14)19-12-16(15)18(3,4)5;/h5-12,14-20H,1-4H3;6-9,11-13H,1-5H3;/q2*-1;/i;13D;.

What are the key properties of [4-(2-deuteriopropan-2-yl)-6-phenyl-3-pyridinyl]-trimethylgermane;2-(2H-dibenzo-p-dioxin-2-id-1-yl)-1-[2,6-di(propan-2-yl)phenyl]benzimidazole;iridium?

[4-(2-deuteriopropan-2-yl)-6-phenyl-3-pyridinyl]-trimethylgermane;2-(2H-dibenzo-p-dioxin-2-id-1-yl)-1-[2,6-di(propan-2-yl)phenyl]benzimidazole;iridium has a molecular weight of 965.77 g/mol, XLogP of 12.85, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for [4-(2-deuteriopropan-2-yl)-6-phenyl-3-pyridinyl]-trimethylgermane;2-(2H-dibenzo-p-dioxin-2-id-1-yl)-1-[2,6-di(propan-2-yl)phenyl]benzimidazole;iridium is sourced from PubChem (CID 171460381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).