8-[1-(2-tert-butyl-4-phenylphenyl)benzimidazol-2-yl]-5-propan-2-yl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;iridium;trimethyl-(6-phenyl-4-propan-2-yl-3-pyridinyl)germane

C54H54GeIrN4O-2 — CID 156670422

About 8-[1-(2-tert-butyl-4-phenylphenyl)benzimidazol-2-yl]-5-propan-2-yl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;iridium;trimethyl-(6-phenyl-4-propan-2-yl-3-pyridinyl)germane

8-[1-(2-tert-butyl-4-phenylphenyl)benzimidazol-2-yl]-5-propan-2-yl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;iridium;trimethyl-(6-phenyl-4-propan-2-yl-3-pyridinyl)germane (PubChem CID 156670422) has the molecular formula C54H54GeIrN4O-2 and a molecular weight of 1039.88 g/mol. Its IUPAC name is 8-[1-(2-tert-butyl-4-phenylphenyl)benzimidazol-2-yl]-5-propan-2-yl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;iridium;trimethyl-(6-phenyl-4-propan-2-yl-3-pyridinyl)germane.

Molecular Properties

• Compound Name: 8-[1-(2-tert-butyl-4-phenylphenyl)benzimidazol-2-yl]-5-propan-2-yl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;iridium;trimethyl-(6-phenyl-4-propan-2-yl-3-pyridinyl)germane
• PubChem CID: 156670422
• Molecular Formula: C54H54GeIrN4O-2
• Molecular Weight: 1039.88 g/mol
• Exact Mass: 1041.31
• IUPAC Name: 8-[1-(2-tert-butyl-4-phenylphenyl)benzimidazol-2-yl]-5-propan-2-yl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;iridium;trimethyl-(6-phenyl-4-propan-2-yl-3-pyridinyl)germane
• SMILES: CC(C)c1c[c-]c(-c2nc3ccccc3n2-c2ccc(-c3ccccc3)cc2C(C)(C)C)c2oc3ncccc3c12.CC(C)c1cc(-c2[c-]cccc2)ncc1[Ge](C)(C)C.[Ir]
• InChI: InChI=1S/C37H32N3O.C17H22GeN.Ir/c1-23(2)26-18-19-28(34-33(26)27-14-11-21-38-36(27)41-34)35-39-30-15-9-10-16-32(30)40(35)31-20-17-25(22-29(31)37(3,4)5)24-12-7-6-8-13-24;1-13(2)15-11-17(14-9-7-6-8-10-14)19-12-16(15)18(3,4)5;/h6-18,20-23H,1-5H3;6-9,11-13H,1-5H3;/q2*-1
• InChIKey: VSBHIIXFEYWTHK-UHFFFAOYSA-N
• XLogP: 14.09
• TPSA: 56.74 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 61
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1039.88
LogP ≤ 5	14.09
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-(2-tert-butyl-4-phenylphenyl)benzimidazol-2-yl]-5-propan-2-yl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;iridium;trimethyl-(6-phenyl-4-propan-2-yl-3-pyridinyl)germane?

The IUPAC name of 8-[1-(2-tert-butyl-4-phenylphenyl)benzimidazol-2-yl]-5-propan-2-yl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;iridium;trimethyl-(6-phenyl-4-propan-2-yl-3-pyridinyl)germane (CID 156670422) is 8-[1-(2-tert-butyl-4-phenylphenyl)benzimidazol-2-yl]-5-propan-2-yl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;iridium;trimethyl-(6-phenyl-4-propan-2-yl-3-pyridinyl)germane.

What is the SMILES notation for 8-[1-(2-tert-butyl-4-phenylphenyl)benzimidazol-2-yl]-5-propan-2-yl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;iridium;trimethyl-(6-phenyl-4-propan-2-yl-3-pyridinyl)germane?

The canonical SMILES for 8-[1-(2-tert-butyl-4-phenylphenyl)benzimidazol-2-yl]-5-propan-2-yl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;iridium;trimethyl-(6-phenyl-4-propan-2-yl-3-pyridinyl)germane is CC(C)c1c[c-]c(-c2nc3ccccc3n2-c2ccc(-c3ccccc3)cc2C(C)(C)C)c2oc3ncccc3c12.CC(C)c1cc(-c2[c-]cccc2)ncc1[Ge](C)(C)C.[Ir].

What is the InChIKey of 8-[1-(2-tert-butyl-4-phenylphenyl)benzimidazol-2-yl]-5-propan-2-yl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;iridium;trimethyl-(6-phenyl-4-propan-2-yl-3-pyridinyl)germane?

The InChIKey is VSBHIIXFEYWTHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H32N3O.C17H22GeN.Ir/c1-23(2)26-18-19-28(34-33(26)27-14-11-21-38-36(27)41-34)35-39-30-15-9-10-16-32(30)40(35)31-20-17-25(22-29(31)37(3,4)5)24-12-7-6-8-13-24;1-13(2)15-11-17(14-9-7-6-8-10-14)19-12-16(15)18(3,4)5;/h6-18,20-23H,1-5H3;6-9,11-13H,1-5H3;/q2*-1;.

What are the key properties of 8-[1-(2-tert-butyl-4-phenylphenyl)benzimidazol-2-yl]-5-propan-2-yl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;iridium;trimethyl-(6-phenyl-4-propan-2-yl-3-pyridinyl)germane?

8-[1-(2-tert-butyl-4-phenylphenyl)benzimidazol-2-yl]-5-propan-2-yl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;iridium;trimethyl-(6-phenyl-4-propan-2-yl-3-pyridinyl)germane has a molecular weight of 1039.88 g/mol, XLogP of 14.09, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 8-[1-(2-tert-butyl-4-phenylphenyl)benzimidazol-2-yl]-5-propan-2-yl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;iridium;trimethyl-(6-phenyl-4-propan-2-yl-3-pyridinyl)germane is sourced from PubChem (CID 156670422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).