9-fluoro-4-(1-naphthalen-1-ylbenzimidazol-2-yl)-3H-[1]benzofuro[3,2-b]pyridin-3-ide;iridium;trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]germane

C46H39FGeIrN4O-2 — CID 156668873

About 9-fluoro-4-(1-naphthalen-1-ylbenzimidazol-2-yl)-3H-[1]benzofuro[3,2-b]pyridin-3-ide;iridium;trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]germane

9-fluoro-4-(1-naphthalen-1-ylbenzimidazol-2-yl)-3H-[1]benzofuro[3,2-b]pyridin-3-ide;iridium;trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]germane (PubChem CID 156668873) has the molecular formula C46H39FGeIrN4O-2 and a molecular weight of 947.67 g/mol. Its IUPAC name is 9-fluoro-4-(1-naphthalen-1-ylbenzimidazol-2-yl)-3H-[1]benzofuro[3,2-b]pyridin-3-ide;iridium;trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]germane.

Molecular Properties

• Compound Name: 9-fluoro-4-(1-naphthalen-1-ylbenzimidazol-2-yl)-3H-[1]benzofuro[3,2-b]pyridin-3-ide;iridium;trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]germane
• PubChem CID: 156668873
• Molecular Formula: C46H39FGeIrN4O-2
• Molecular Weight: 947.67 g/mol
• Exact Mass: 949.20
• IUPAC Name: 9-fluoro-4-(1-naphthalen-1-ylbenzimidazol-2-yl)-3H-[1]benzofuro[3,2-b]pyridin-3-ide;iridium;trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]germane
• SMILES: CC(C)Cc1cc(-c2[c-]cccc2)ncc1[Ge](C)(C)C.Fc1cccc2oc3c(-c4nc5ccccc5n4-c4cccc5ccccc45)[c-]cnc3c12.[Ir]
• InChI: InChI=1S/C28H15FN3O.C18H24GeN.Ir/c29-20-10-6-14-24-25(20)26-27(33-24)19(15-16-30-26)28-31-21-11-3-4-12-23(21)32(28)22-13-5-8-17-7-1-2-9-18(17)22;1-14(2)11-16-12-18(15-9-7-6-8-10-15)20-13-17(16)19(3,4)5;/h1-14,16H;6-9,12-14H,11H2,1-5H3;/q2*-1
• InChIKey: UKBQUFSQTQSTHS-UHFFFAOYSA-N
• XLogP: 11.37
• TPSA: 56.74 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 54
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	947.67
LogP ≤ 5	11.37
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 9-fluoro-4-(1-naphthalen-1-ylbenzimidazol-2-yl)-3H-[1]benzofuro[3,2-b]pyridin-3-ide;iridium;trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]germane?

The IUPAC name of 9-fluoro-4-(1-naphthalen-1-ylbenzimidazol-2-yl)-3H-[1]benzofuro[3,2-b]pyridin-3-ide;iridium;trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]germane (CID 156668873) is 9-fluoro-4-(1-naphthalen-1-ylbenzimidazol-2-yl)-3H-[1]benzofuro[3,2-b]pyridin-3-ide;iridium;trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]germane.

What is the SMILES notation for 9-fluoro-4-(1-naphthalen-1-ylbenzimidazol-2-yl)-3H-[1]benzofuro[3,2-b]pyridin-3-ide;iridium;trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]germane?

The canonical SMILES for 9-fluoro-4-(1-naphthalen-1-ylbenzimidazol-2-yl)-3H-[1]benzofuro[3,2-b]pyridin-3-ide;iridium;trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]germane is CC(C)Cc1cc(-c2[c-]cccc2)ncc1[Ge](C)(C)C.Fc1cccc2oc3c(-c4nc5ccccc5n4-c4cccc5ccccc45)[c-]cnc3c12.[Ir].

What is the InChIKey of 9-fluoro-4-(1-naphthalen-1-ylbenzimidazol-2-yl)-3H-[1]benzofuro[3,2-b]pyridin-3-ide;iridium;trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]germane?

The InChIKey is UKBQUFSQTQSTHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H15FN3O.C18H24GeN.Ir/c29-20-10-6-14-24-25(20)26-27(33-24)19(15-16-30-26)28-31-21-11-3-4-12-23(21)32(28)22-13-5-8-17-7-1-2-9-18(17)22;1-14(2)11-16-12-18(15-9-7-6-8-10-15)20-13-17(16)19(3,4)5;/h1-14,16H;6-9,12-14H,11H2,1-5H3;/q2*-1;.

What are the key properties of 9-fluoro-4-(1-naphthalen-1-ylbenzimidazol-2-yl)-3H-[1]benzofuro[3,2-b]pyridin-3-ide;iridium;trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]germane?

9-fluoro-4-(1-naphthalen-1-ylbenzimidazol-2-yl)-3H-[1]benzofuro[3,2-b]pyridin-3-ide;iridium;trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]germane has a molecular weight of 947.67 g/mol, XLogP of 11.37, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 9-fluoro-4-(1-naphthalen-1-ylbenzimidazol-2-yl)-3H-[1]benzofuro[3,2-b]pyridin-3-ide;iridium;trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]germane is sourced from PubChem (CID 156668873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).