8-[1-(4-tert-butyl-2,6-diphenylphenyl)benzimidazol-2-yl]-2-(trifluoromethyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;iridium;trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]germane

C₅₉H₅₃F₃GeIrN₄O-2 — CID 156671138

About 8-[1-(4-tert-butyl-2,6-diphenylphenyl)benzimidazol-2-yl]-2-(trifluoromethyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;iridium;trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]germane

8-[1-(4-tert-butyl-2,6-diphenylphenyl)benzimidazol-2-yl]-2-(trifluoromethyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;iridium;trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]germane (PubChem CID 156671138) has the molecular formula C₅₉H₅₃F₃GeIrN₄O-2 and a molecular weight of 1155.92 g/mol. Its IUPAC name is 8-[1-(4-tert-butyl-2,6-diphenylphenyl)benzimidazol-2-yl]-2-(trifluoromethyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;iridium;trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]germane.

Molecular Properties

• Compound Name: 8-[1-(4-tert-butyl-2,6-diphenylphenyl)benzimidazol-2-yl]-2-(trifluoromethyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;iridium;trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]germane
• PubChem CID: 156671138
• Molecular Formula: C₅₉H₅₃F₃GeIrN₄O-2
• Molecular Weight: 1155.92 g/mol
• Exact Mass: 1157.30
• IUPAC Name: 8-[1-(4-tert-butyl-2,6-diphenylphenyl)benzimidazol-2-yl]-2-(trifluoromethyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;iridium;trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]germane
• SMILES: CC(C)(C)c1cc(-c2ccccc2)c(-n2c(-c3[c-]ccc4c3oc3nc(C(F)(F)F)ccc34)nc3ccccc32)c(-c2ccccc2)c1.CC(C)Cc1cc(-c2[c-]cccc2)ncc1[Ge](C)(C)C.[Ir]
• InChI: InChI=1S/C41H29F3N3O.C18H24GeN.Ir/c1-40(2,3)27-23-31(25-13-6-4-7-14-25)36(32(24-27)26-15-8-5-9-16-26)47-34-20-11-10-19-33(34)45-38(47)30-18-12-17-28-29-21-22-35(41(42,43)44)46-39(29)48-37(28)30;1-14(2)11-16-12-18(15-9-7-6-8-10-15)20-13-17(16)19(3,4)5;/h4-17,19-24H,1-3H3;6-9,12-14H,11H2,1-5H3;/q2*-1
• InChIKey: NKCNOSMUFOHWTM-UHFFFAOYSA-N
• XLogP: 15.73
• TPSA: 56.74 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 8
• Heavy Atoms: 69
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1155.92
LogP ≤ 5	15.73
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-[1-(4-tert-butyl-2,6-diphenylphenyl)benzimidazol-2-yl]-2-(trifluoromethyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;iridium;trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]germane?

The IUPAC name of 8-[1-(4-tert-butyl-2,6-diphenylphenyl)benzimidazol-2-yl]-2-(trifluoromethyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;iridium;trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]germane (CID 156671138) is 8-[1-(4-tert-butyl-2,6-diphenylphenyl)benzimidazol-2-yl]-2-(trifluoromethyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;iridium;trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]germane.

What is the SMILES notation for 8-[1-(4-tert-butyl-2,6-diphenylphenyl)benzimidazol-2-yl]-2-(trifluoromethyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;iridium;trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]germane?

The canonical SMILES for 8-[1-(4-tert-butyl-2,6-diphenylphenyl)benzimidazol-2-yl]-2-(trifluoromethyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;iridium;trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]germane is CC(C)(C)c1cc(-c2ccccc2)c(-n2c(-c3[c-]ccc4c3oc3nc(C(F)(F)F)ccc34)nc3ccccc32)c(-c2ccccc2)c1.CC(C)Cc1cc(-c2[c-]cccc2)ncc1[Ge](C)(C)C.[Ir].

What is the InChIKey of 8-[1-(4-tert-butyl-2,6-diphenylphenyl)benzimidazol-2-yl]-2-(trifluoromethyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;iridium;trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]germane?

The InChIKey is NKCNOSMUFOHWTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H29F3N3O.C18H24GeN.Ir/c1-40(2,3)27-23-31(25-13-6-4-7-14-25)36(32(24-27)26-15-8-5-9-16-26)47-34-20-11-10-19-33(34)45-38(47)30-18-12-17-28-29-21-22-35(41(42,43)44)46-39(29)48-37(28)30;1-14(2)11-16-12-18(15-9-7-6-8-10-15)20-13-17(16)19(3,4)5;/h4-17,19-24H,1-3H3;6-9,12-14H,11H2,1-5H3;/q2*-1;.

What are the key properties of 8-[1-(4-tert-butyl-2,6-diphenylphenyl)benzimidazol-2-yl]-2-(trifluoromethyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;iridium;trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]germane?

8-[1-(4-tert-butyl-2,6-diphenylphenyl)benzimidazol-2-yl]-2-(trifluoromethyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;iridium;trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]germane has a molecular weight of 1155.92 g/mol, XLogP of 15.73, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 8-[1-(4-tert-butyl-2,6-diphenylphenyl)benzimidazol-2-yl]-2-(trifluoromethyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;iridium;trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]germane is sourced from PubChem (CID 156671138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 156671138 — identifiers, structure, computed properties (public domain)

How this page is built: methodology · editorial policy & corrections.