iridium;1-[4-methyl-2,6-di(propan-2-yl)phenyl]-2-[7-(trifluoromethyl)-3H-dibenzofuran-3-id-4-yl]benzimidazole;trimethyl-(6-phenyl-3-pyridinyl)germane

C47H44F3GeIrN3O-2 — CID 156658298

About iridium;1-[4-methyl-2,6-di(propan-2-yl)phenyl]-2-[7-(trifluoromethyl)-3H-dibenzofuran-3-id-4-yl]benzimidazole;trimethyl-(6-phenyl-3-pyridinyl)germane

iridium;1-[4-methyl-2,6-di(propan-2-yl)phenyl]-2-[7-(trifluoromethyl)-3H-dibenzofuran-3-id-4-yl]benzimidazole;trimethyl-(6-phenyl-3-pyridinyl)germane (PubChem CID 156658298) has the molecular formula C47H44F3GeIrN3O-2 and a molecular weight of 988.71 g/mol. Its IUPAC name is iridium;1-[4-methyl-2,6-di(propan-2-yl)phenyl]-2-[7-(trifluoromethyl)-3H-dibenzofuran-3-id-4-yl]benzimidazole;trimethyl-(6-phenyl-3-pyridinyl)germane.

Molecular Properties

• Compound Name: iridium;1-[4-methyl-2,6-di(propan-2-yl)phenyl]-2-[7-(trifluoromethyl)-3H-dibenzofuran-3-id-4-yl]benzimidazole;trimethyl-(6-phenyl-3-pyridinyl)germane
• PubChem CID: 156658298
• Molecular Formula: C47H44F3GeIrN3O-2
• Molecular Weight: 988.71 g/mol
• Exact Mass: 990.23
• IUPAC Name: iridium;1-[4-methyl-2,6-di(propan-2-yl)phenyl]-2-[7-(trifluoromethyl)-3H-dibenzofuran-3-id-4-yl]benzimidazole;trimethyl-(6-phenyl-3-pyridinyl)germane
• SMILES: C[Ge](C)(C)c1ccc(-c2[c-]cccc2)nc1.Cc1cc(C(C)C)c(-n2c(-c3[c-]ccc4c3oc3cc(C(F)(F)F)ccc34)nc3ccccc32)c(C(C)C)c1.[Ir]
• InChI: InChI=1S/C33H28F3N2O.C14H16GeN.Ir/c1-18(2)25-15-20(5)16-26(19(3)4)30(25)38-28-12-7-6-11-27(28)37-32(38)24-10-8-9-23-22-14-13-21(33(34,35)36)17-29(22)39-31(23)24;1-15(2,3)13-9-10-14(16-11-13)12-7-5-4-6-8-12;/h6-9,11-19H,1-5H3;4-7,9-11H,1-3H3;/q2*-1
• InChIKey: QSHGGJBOBLLOSV-UHFFFAOYSA-N
• XLogP: 13.06
• TPSA: 43.85 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 6
• Heavy Atoms: 56
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	988.71
LogP ≤ 5	13.06
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 iridium;1-[4-methyl-2,6-di(propan-2-yl)phenyl]-2-[7-(trifluoromethyl)-3H-dibenzofuran-3-id-4-yl]benzimidazole;trimethyl-(6-phenyl-3-pyridinyl)germane?

The IUPAC name of iridium;1-[4-methyl-2,6-di(propan-2-yl)phenyl]-2-[7-(trifluoromethyl)-3H-dibenzofuran-3-id-4-yl]benzimidazole;trimethyl-(6-phenyl-3-pyridinyl)germane (CID 156658298) is iridium;1-[4-methyl-2,6-di(propan-2-yl)phenyl]-2-[7-(trifluoromethyl)-3H-dibenzofuran-3-id-4-yl]benzimidazole;trimethyl-(6-phenyl-3-pyridinyl)germane.

What is the SMILES notation for iridium;1-[4-methyl-2,6-di(propan-2-yl)phenyl]-2-[7-(trifluoromethyl)-3H-dibenzofuran-3-id-4-yl]benzimidazole;trimethyl-(6-phenyl-3-pyridinyl)germane?

The canonical SMILES for iridium;1-[4-methyl-2,6-di(propan-2-yl)phenyl]-2-[7-(trifluoromethyl)-3H-dibenzofuran-3-id-4-yl]benzimidazole;trimethyl-(6-phenyl-3-pyridinyl)germane is C[Ge](C)(C)c1ccc(-c2[c-]cccc2)nc1.Cc1cc(C(C)C)c(-n2c(-c3[c-]ccc4c3oc3cc(C(F)(F)F)ccc34)nc3ccccc32)c(C(C)C)c1.[Ir].

What is the InChIKey of iridium;1-[4-methyl-2,6-di(propan-2-yl)phenyl]-2-[7-(trifluoromethyl)-3H-dibenzofuran-3-id-4-yl]benzimidazole;trimethyl-(6-phenyl-3-pyridinyl)germane?

The InChIKey is QSHGGJBOBLLOSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H28F3N2O.C14H16GeN.Ir/c1-18(2)25-15-20(5)16-26(19(3)4)30(25)38-28-12-7-6-11-27(28)37-32(38)24-10-8-9-23-22-14-13-21(33(34,35)36)17-29(22)39-31(23)24;1-15(2,3)13-9-10-14(16-11-13)12-7-5-4-6-8-12;/h6-9,11-19H,1-5H3;4-7,9-11H,1-3H3;/q2*-1;.

What are the key properties of iridium;1-[4-methyl-2,6-di(propan-2-yl)phenyl]-2-[7-(trifluoromethyl)-3H-dibenzofuran-3-id-4-yl]benzimidazole;trimethyl-(6-phenyl-3-pyridinyl)germane?

iridium;1-[4-methyl-2,6-di(propan-2-yl)phenyl]-2-[7-(trifluoromethyl)-3H-dibenzofuran-3-id-4-yl]benzimidazole;trimethyl-(6-phenyl-3-pyridinyl)germane has a molecular weight of 988.71 g/mol, XLogP of 13.06, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for iridium;1-[4-methyl-2,6-di(propan-2-yl)phenyl]-2-[7-(trifluoromethyl)-3H-dibenzofuran-3-id-4-yl]benzimidazole;trimethyl-(6-phenyl-3-pyridinyl)germane is sourced from PubChem (CID 156658298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).