4-(2,2-dimethylpropyl)-2-[7-(4-fluorophenyl)-2H-dibenzofuran-2-id-3-yl]pyridine;iridium;trimethyl-[6-(2H-naphthalen-2-id-1-yl)-3-pyridinyl]germane

C46H41FGeIrN2O-2 — CID 169038685

About 4-(2,2-dimethylpropyl)-2-[7-(4-fluorophenyl)-2H-dibenzofuran-2-id-3-yl]pyridine;iridium;trimethyl-[6-(2H-naphthalen-2-id-1-yl)-3-pyridinyl]germane

4-(2,2-dimethylpropyl)-2-[7-(4-fluorophenyl)-2H-dibenzofuran-2-id-3-yl]pyridine;iridium;trimethyl-[6-(2H-naphthalen-2-id-1-yl)-3-pyridinyl]germane (PubChem CID 169038685) has the molecular formula C46H41FGeIrN2O-2 and a molecular weight of 921.67 g/mol. Its IUPAC name is 4-(2,2-dimethylpropyl)-2-[7-(4-fluorophenyl)-2H-dibenzofuran-2-id-3-yl]pyridine;iridium;trimethyl-[6-(2H-naphthalen-2-id-1-yl)-3-pyridinyl]germane.

Molecular Properties

• Compound Name: 4-(2,2-dimethylpropyl)-2-[7-(4-fluorophenyl)-2H-dibenzofuran-2-id-3-yl]pyridine;iridium;trimethyl-[6-(2H-naphthalen-2-id-1-yl)-3-pyridinyl]germane
• PubChem CID: 169038685
• Molecular Formula: C46H41FGeIrN2O-2
• Molecular Weight: 921.67 g/mol
• Exact Mass: 923.21
• IUPAC Name: 4-(2,2-dimethylpropyl)-2-[7-(4-fluorophenyl)-2H-dibenzofuran-2-id-3-yl]pyridine;iridium;trimethyl-[6-(2H-naphthalen-2-id-1-yl)-3-pyridinyl]germane
• SMILES: CC(C)(C)Cc1ccnc(-c2[c-]cc3c(c2)oc2cc(-c4ccc(F)cc4)ccc23)c1.C[Ge](C)(C)c1ccc(-c2[c-]ccc3ccccc23)nc1.[Ir]
• InChI: InChI=1S/C28H23FNO.C18H18GeN.Ir/c1-28(2,3)17-18-12-13-30-25(14-18)21-7-11-24-23-10-6-20(15-26(23)31-27(24)16-21)19-4-8-22(29)9-5-19;1-19(2,3)15-11-12-18(20-13-15)17-10-6-8-14-7-4-5-9-16(14)17;/h4-6,8-16H,17H2,1-3H3;4-9,11-13H,1-3H3;/q2*-1
• InChIKey: VFQMNSGZHXRKTF-UHFFFAOYSA-N
• XLogP: 12.09
• TPSA: 38.92 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 5
• Heavy Atoms: 52
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	921.67
LogP ≤ 5	12.09
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 4-(2,2-dimethylpropyl)-2-[7-(4-fluorophenyl)-2H-dibenzofuran-2-id-3-yl]pyridine;iridium;trimethyl-[6-(2H-naphthalen-2-id-1-yl)-3-pyridinyl]germane?

The IUPAC name of 4-(2,2-dimethylpropyl)-2-[7-(4-fluorophenyl)-2H-dibenzofuran-2-id-3-yl]pyridine;iridium;trimethyl-[6-(2H-naphthalen-2-id-1-yl)-3-pyridinyl]germane (CID 169038685) is 4-(2,2-dimethylpropyl)-2-[7-(4-fluorophenyl)-2H-dibenzofuran-2-id-3-yl]pyridine;iridium;trimethyl-[6-(2H-naphthalen-2-id-1-yl)-3-pyridinyl]germane.

What is the SMILES notation for 4-(2,2-dimethylpropyl)-2-[7-(4-fluorophenyl)-2H-dibenzofuran-2-id-3-yl]pyridine;iridium;trimethyl-[6-(2H-naphthalen-2-id-1-yl)-3-pyridinyl]germane?

The canonical SMILES for 4-(2,2-dimethylpropyl)-2-[7-(4-fluorophenyl)-2H-dibenzofuran-2-id-3-yl]pyridine;iridium;trimethyl-[6-(2H-naphthalen-2-id-1-yl)-3-pyridinyl]germane is CC(C)(C)Cc1ccnc(-c2[c-]cc3c(c2)oc2cc(-c4ccc(F)cc4)ccc23)c1.C[Ge](C)(C)c1ccc(-c2[c-]ccc3ccccc23)nc1.[Ir].

What is the InChIKey of 4-(2,2-dimethylpropyl)-2-[7-(4-fluorophenyl)-2H-dibenzofuran-2-id-3-yl]pyridine;iridium;trimethyl-[6-(2H-naphthalen-2-id-1-yl)-3-pyridinyl]germane?

The InChIKey is VFQMNSGZHXRKTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H23FNO.C18H18GeN.Ir/c1-28(2,3)17-18-12-13-30-25(14-18)21-7-11-24-23-10-6-20(15-26(23)31-27(24)16-21)19-4-8-22(29)9-5-19;1-19(2,3)15-11-12-18(20-13-15)17-10-6-8-14-7-4-5-9-16(14)17;/h4-6,8-16H,17H2,1-3H3;4-9,11-13H,1-3H3;/q2*-1;.

What are the key properties of 4-(2,2-dimethylpropyl)-2-[7-(4-fluorophenyl)-2H-dibenzofuran-2-id-3-yl]pyridine;iridium;trimethyl-[6-(2H-naphthalen-2-id-1-yl)-3-pyridinyl]germane?

4-(2,2-dimethylpropyl)-2-[7-(4-fluorophenyl)-2H-dibenzofuran-2-id-3-yl]pyridine;iridium;trimethyl-[6-(2H-naphthalen-2-id-1-yl)-3-pyridinyl]germane has a molecular weight of 921.67 g/mol, XLogP of 12.09, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 4-(2,2-dimethylpropyl)-2-[7-(4-fluorophenyl)-2H-dibenzofuran-2-id-3-yl]pyridine;iridium;trimethyl-[6-(2H-naphthalen-2-id-1-yl)-3-pyridinyl]germane is sourced from PubChem (CID 169038685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).