3-[3-[2,6-di(propan-2-yl)phenyl]-6-methylimidazo[4,5-c]pyridin-2-yl]-7-fluoro-2H-[1]benzofuro[2,3-b]pyridin-2-ide;iridium;trimethyl-[6-(4-methylbenzene-6-id-1-yl)-3-pyridinyl]germane

C45H44FGeIrN5O-2 — CID 156671387

About 3-[3-[2,6-di(propan-2-yl)phenyl]-6-methylimidazo[4,5-c]pyridin-2-yl]-7-fluoro-2H-[1]benzofuro[2,3-b]pyridin-2-ide;iridium;trimethyl-[6-(4-methylbenzene-6-id-1-yl)-3-pyridinyl]germane

3-[3-[2,6-di(propan-2-yl)phenyl]-6-methylimidazo[4,5-c]pyridin-2-yl]-7-fluoro-2H-[1]benzofuro[2,3-b]pyridin-2-ide;iridium;trimethyl-[6-(4-methylbenzene-6-id-1-yl)-3-pyridinyl]germane (PubChem CID 156671387) has the molecular formula C45H44FGeIrN5O-2 and a molecular weight of 954.71 g/mol. Its IUPAC name is 3-[3-[2,6-di(propan-2-yl)phenyl]-6-methylimidazo[4,5-c]pyridin-2-yl]-7-fluoro-2H-[1]benzofuro[2,3-b]pyridin-2-ide;iridium;trimethyl-[6-(4-methylbenzene-6-id-1-yl)-3-pyridinyl]germane.

Molecular Properties

• Compound Name: 3-[3-[2,6-di(propan-2-yl)phenyl]-6-methylimidazo[4,5-c]pyridin-2-yl]-7-fluoro-2H-[1]benzofuro[2,3-b]pyridin-2-ide;iridium;trimethyl-[6-(4-methylbenzene-6-id-1-yl)-3-pyridinyl]germane
• PubChem CID: 156671387
• Molecular Formula: C45H44FGeIrN5O-2
• Molecular Weight: 954.71 g/mol
• Exact Mass: 956.24
• IUPAC Name: 3-[3-[2,6-di(propan-2-yl)phenyl]-6-methylimidazo[4,5-c]pyridin-2-yl]-7-fluoro-2H-[1]benzofuro[2,3-b]pyridin-2-ide;iridium;trimethyl-[6-(4-methylbenzene-6-id-1-yl)-3-pyridinyl]germane
• SMILES: Cc1c[c-]c(-c2ccc([Ge](C)(C)C)cn2)cc1.Cc1cc2nc(-c3[c-]nc4oc5cc(F)ccc5c4c3)n(-c3c(C(C)C)cccc3C(C)C)c2cn1.[Ir]
• InChI: InChI=1S/C30H26FN4O.C15H18GeN.Ir/c1-16(2)21-7-6-8-22(17(3)4)28(21)35-26-15-32-18(5)11-25(26)34-29(35)19-12-24-23-10-9-20(31)13-27(23)36-30(24)33-14-19;1-12-5-7-13(8-6-12)15-10-9-14(11-17-15)16(2,3)4;/h6-13,15-17H,1-5H3;5-7,9-11H,1-4H3;/q2*-1
• InChIKey: CVRWGGOIXKYLLL-UHFFFAOYSA-N
• XLogP: 11.28
• TPSA: 69.63 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 54
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	954.71
LogP ≤ 5	11.28
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 3-[3-[2,6-di(propan-2-yl)phenyl]-6-methylimidazo[4,5-c]pyridin-2-yl]-7-fluoro-2H-[1]benzofuro[2,3-b]pyridin-2-ide;iridium;trimethyl-[6-(4-methylbenzene-6-id-1-yl)-3-pyridinyl]germane?

The IUPAC name of 3-[3-[2,6-di(propan-2-yl)phenyl]-6-methylimidazo[4,5-c]pyridin-2-yl]-7-fluoro-2H-[1]benzofuro[2,3-b]pyridin-2-ide;iridium;trimethyl-[6-(4-methylbenzene-6-id-1-yl)-3-pyridinyl]germane (CID 156671387) is 3-[3-[2,6-di(propan-2-yl)phenyl]-6-methylimidazo[4,5-c]pyridin-2-yl]-7-fluoro-2H-[1]benzofuro[2,3-b]pyridin-2-ide;iridium;trimethyl-[6-(4-methylbenzene-6-id-1-yl)-3-pyridinyl]germane.

What is the SMILES notation for 3-[3-[2,6-di(propan-2-yl)phenyl]-6-methylimidazo[4,5-c]pyridin-2-yl]-7-fluoro-2H-[1]benzofuro[2,3-b]pyridin-2-ide;iridium;trimethyl-[6-(4-methylbenzene-6-id-1-yl)-3-pyridinyl]germane?

The canonical SMILES for 3-[3-[2,6-di(propan-2-yl)phenyl]-6-methylimidazo[4,5-c]pyridin-2-yl]-7-fluoro-2H-[1]benzofuro[2,3-b]pyridin-2-ide;iridium;trimethyl-[6-(4-methylbenzene-6-id-1-yl)-3-pyridinyl]germane is Cc1c[c-]c(-c2ccc([Ge](C)(C)C)cn2)cc1.Cc1cc2nc(-c3[c-]nc4oc5cc(F)ccc5c4c3)n(-c3c(C(C)C)cccc3C(C)C)c2cn1.[Ir].

What is the InChIKey of 3-[3-[2,6-di(propan-2-yl)phenyl]-6-methylimidazo[4,5-c]pyridin-2-yl]-7-fluoro-2H-[1]benzofuro[2,3-b]pyridin-2-ide;iridium;trimethyl-[6-(4-methylbenzene-6-id-1-yl)-3-pyridinyl]germane?

The InChIKey is CVRWGGOIXKYLLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H26FN4O.C15H18GeN.Ir/c1-16(2)21-7-6-8-22(17(3)4)28(21)35-26-15-32-18(5)11-25(26)34-29(35)19-12-24-23-10-9-20(31)13-27(23)36-30(24)33-14-19;1-12-5-7-13(8-6-12)15-10-9-14(11-17-15)16(2,3)4;/h6-13,15-17H,1-5H3;5-7,9-11H,1-4H3;/q2*-1;.

What are the key properties of 3-[3-[2,6-di(propan-2-yl)phenyl]-6-methylimidazo[4,5-c]pyridin-2-yl]-7-fluoro-2H-[1]benzofuro[2,3-b]pyridin-2-ide;iridium;trimethyl-[6-(4-methylbenzene-6-id-1-yl)-3-pyridinyl]germane?

3-[3-[2,6-di(propan-2-yl)phenyl]-6-methylimidazo[4,5-c]pyridin-2-yl]-7-fluoro-2H-[1]benzofuro[2,3-b]pyridin-2-ide;iridium;trimethyl-[6-(4-methylbenzene-6-id-1-yl)-3-pyridinyl]germane has a molecular weight of 954.71 g/mol, XLogP of 11.28, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[3-[2,6-di(propan-2-yl)phenyl]-6-methylimidazo[4,5-c]pyridin-2-yl]-7-fluoro-2H-[1]benzofuro[2,3-b]pyridin-2-ide;iridium;trimethyl-[6-(4-methylbenzene-6-id-1-yl)-3-pyridinyl]germane is sourced from PubChem (CID 156671387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).