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

C55H56GeIrN4O-2 — CID 156667638

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

6-[1-(2-tert-butyl-4-phenylphenyl)benzimidazol-2-yl]-2-propan-2-yl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;iridium;trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]germane (PubChem CID 156667638) has the molecular formula C55H56GeIrN4O-2 and a molecular weight of 1053.91 g/mol. Its IUPAC name is 6-[1-(2-tert-butyl-4-phenylphenyl)benzimidazol-2-yl]-2-propan-2-yl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;iridium;trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]germane.

Molecular Properties

• Compound Name: 6-[1-(2-tert-butyl-4-phenylphenyl)benzimidazol-2-yl]-2-propan-2-yl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;iridium;trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]germane
• PubChem CID: 156667638
• Molecular Formula: C55H56GeIrN4O-2
• Molecular Weight: 1053.91 g/mol
• Exact Mass: 1055.33
• IUPAC Name: 6-[1-(2-tert-butyl-4-phenylphenyl)benzimidazol-2-yl]-2-propan-2-yl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;iridium;trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]germane
• SMILES: CC(C)Cc1cc(-c2[c-]cccc2)ncc1[Ge](C)(C)C.CC(C)c1ccc2c(n1)oc1c[c-]c(-c3nc4ccccc4n3-c3ccc(-c4ccccc4)cc3C(C)(C)C)cc12.[Ir]
• InChI: InChI=1S/C37H32N3O.C18H24GeN.Ir/c1-23(2)30-18-17-27-28-21-26(16-20-34(28)41-36(27)39-30)35-38-31-13-9-10-14-33(31)40(35)32-19-15-25(22-29(32)37(3,4)5)24-11-7-6-8-12-24;1-14(2)11-16-12-18(15-9-7-6-8-10-15)20-13-17(16)19(3,4)5;/h6-15,17-23H,1-5H3;6-9,12-14H,11H2,1-5H3;/q2*-1
• InChIKey: WBFBZOTVFYYLEE-UHFFFAOYSA-N
• XLogP: 14.16
• TPSA: 56.74 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 8
• Heavy Atoms: 62
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1053.91
LogP ≤ 5	14.16
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 6-[1-(2-tert-butyl-4-phenylphenyl)benzimidazol-2-yl]-2-propan-2-yl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;iridium;trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]germane?

The IUPAC name of 6-[1-(2-tert-butyl-4-phenylphenyl)benzimidazol-2-yl]-2-propan-2-yl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;iridium;trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]germane (CID 156667638) is 6-[1-(2-tert-butyl-4-phenylphenyl)benzimidazol-2-yl]-2-propan-2-yl-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 6-[1-(2-tert-butyl-4-phenylphenyl)benzimidazol-2-yl]-2-propan-2-yl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;iridium;trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]germane?

The canonical SMILES for 6-[1-(2-tert-butyl-4-phenylphenyl)benzimidazol-2-yl]-2-propan-2-yl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;iridium;trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]germane is CC(C)Cc1cc(-c2[c-]cccc2)ncc1[Ge](C)(C)C.CC(C)c1ccc2c(n1)oc1c[c-]c(-c3nc4ccccc4n3-c3ccc(-c4ccccc4)cc3C(C)(C)C)cc12.[Ir].

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

The InChIKey is WBFBZOTVFYYLEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H32N3O.C18H24GeN.Ir/c1-23(2)30-18-17-27-28-21-26(16-20-34(28)41-36(27)39-30)35-38-31-13-9-10-14-33(31)40(35)32-19-15-25(22-29(32)37(3,4)5)24-11-7-6-8-12-24;1-14(2)11-16-12-18(15-9-7-6-8-10-15)20-13-17(16)19(3,4)5;/h6-15,17-23H,1-5H3;6-9,12-14H,11H2,1-5H3;/q2*-1;.

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

6-[1-(2-tert-butyl-4-phenylphenyl)benzimidazol-2-yl]-2-propan-2-yl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;iridium;trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]germane has a molecular weight of 1053.91 g/mol, XLogP of 14.16, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[1-(2-tert-butyl-4-phenylphenyl)benzimidazol-2-yl]-2-propan-2-yl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;iridium;trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]germane is sourced from PubChem (CID 156667638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).