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

C50H45FGeIrN4O-2 — CID 156669875

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

8-[1-[2,6-di(propan-2-yl)phenyl]benzimidazol-2-yl]-2-(4-fluorophenyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;iridium;trimethyl-(6-phenyl-3-pyridinyl)germane (PubChem CID 156669875) has the molecular formula C50H45FGeIrN4O-2 and a molecular weight of 1001.76 g/mol. Its IUPAC name is 8-[1-[2,6-di(propan-2-yl)phenyl]benzimidazol-2-yl]-2-(4-fluorophenyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;iridium;trimethyl-(6-phenyl-3-pyridinyl)germane.

Molecular Properties

• Compound Name: 8-[1-[2,6-di(propan-2-yl)phenyl]benzimidazol-2-yl]-2-(4-fluorophenyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;iridium;trimethyl-(6-phenyl-3-pyridinyl)germane
• PubChem CID: 156669875
• Molecular Formula: C50H45FGeIrN4O-2
• Molecular Weight: 1001.76 g/mol
• Exact Mass: 1003.24
• IUPAC Name: 8-[1-[2,6-di(propan-2-yl)phenyl]benzimidazol-2-yl]-2-(4-fluorophenyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;iridium;trimethyl-(6-phenyl-3-pyridinyl)germane
• SMILES: CC(C)c1cccc(C(C)C)c1-n1c(-c2[c-]ccc3c2oc2nc(-c4ccc(F)cc4)ccc23)nc2ccccc21.C[Ge](C)(C)c1ccc(-c2[c-]cccc2)nc1.[Ir]
• InChI: InChI=1S/C36H29FN3O.C14H16GeN.Ir/c1-21(2)25-9-7-10-26(22(3)4)33(25)40-32-14-6-5-13-31(32)38-35(40)29-12-8-11-27-28-19-20-30(39-36(28)41-34(27)29)23-15-17-24(37)18-16-23;1-15(2,3)13-9-10-14(16-11-13)12-7-5-4-6-8-12;/h5-11,13-22H,1-4H3;4-7,9-11H,1-3H3;/q2*-1
• InChIKey: OBDUDZVDSPZMJG-UHFFFAOYSA-N
• XLogP: 12.93
• TPSA: 56.74 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 58
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1001.76
LogP ≤ 5	12.93
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-[2,6-di(propan-2-yl)phenyl]benzimidazol-2-yl]-2-(4-fluorophenyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;iridium;trimethyl-(6-phenyl-3-pyridinyl)germane?

The IUPAC name of 8-[1-[2,6-di(propan-2-yl)phenyl]benzimidazol-2-yl]-2-(4-fluorophenyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;iridium;trimethyl-(6-phenyl-3-pyridinyl)germane (CID 156669875) is 8-[1-[2,6-di(propan-2-yl)phenyl]benzimidazol-2-yl]-2-(4-fluorophenyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;iridium;trimethyl-(6-phenyl-3-pyridinyl)germane.

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

The canonical SMILES for 8-[1-[2,6-di(propan-2-yl)phenyl]benzimidazol-2-yl]-2-(4-fluorophenyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;iridium;trimethyl-(6-phenyl-3-pyridinyl)germane is CC(C)c1cccc(C(C)C)c1-n1c(-c2[c-]ccc3c2oc2nc(-c4ccc(F)cc4)ccc23)nc2ccccc21.C[Ge](C)(C)c1ccc(-c2[c-]cccc2)nc1.[Ir].

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

The InChIKey is OBDUDZVDSPZMJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H29FN3O.C14H16GeN.Ir/c1-21(2)25-9-7-10-26(22(3)4)33(25)40-32-14-6-5-13-31(32)38-35(40)29-12-8-11-27-28-19-20-30(39-36(28)41-34(27)29)23-15-17-24(37)18-16-23;1-15(2,3)13-9-10-14(16-11-13)12-7-5-4-6-8-12;/h5-11,13-22H,1-4H3;4-7,9-11H,1-3H3;/q2*-1;.

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

8-[1-[2,6-di(propan-2-yl)phenyl]benzimidazol-2-yl]-2-(4-fluorophenyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;iridium;trimethyl-(6-phenyl-3-pyridinyl)germane has a molecular weight of 1001.76 g/mol, XLogP of 12.93, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 8-[1-[2,6-di(propan-2-yl)phenyl]benzimidazol-2-yl]-2-(4-fluorophenyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;iridium;trimethyl-(6-phenyl-3-pyridinyl)germane is sourced from PubChem (CID 156669875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).