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

C46H48GeIrN2O-2 — CID 166576333

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

4-(2,2-dimethylpropyl)-2-[7-(4-methylphenyl)-3H-dibenzofuran-3-id-2-yl]pyridine;iridium;trimethyl-[6-(4-propan-2-ylbenzene-6-id-1-yl)-3-pyridinyl]germane (PubChem CID 166576333) has the molecular formula C46H48GeIrN2O-2 and a molecular weight of 909.73 g/mol. Its IUPAC name is 4-(2,2-dimethylpropyl)-2-[7-(4-methylphenyl)-3H-dibenzofuran-3-id-2-yl]pyridine;iridium;trimethyl-[6-(4-propan-2-ylbenzene-6-id-1-yl)-3-pyridinyl]germane.

Molecular Properties

• Compound Name: 4-(2,2-dimethylpropyl)-2-[7-(4-methylphenyl)-3H-dibenzofuran-3-id-2-yl]pyridine;iridium;trimethyl-[6-(4-propan-2-ylbenzene-6-id-1-yl)-3-pyridinyl]germane
• PubChem CID: 166576333
• Molecular Formula: C46H48GeIrN2O-2
• Molecular Weight: 909.73 g/mol
• Exact Mass: 911.26
• IUPAC Name: 4-(2,2-dimethylpropyl)-2-[7-(4-methylphenyl)-3H-dibenzofuran-3-id-2-yl]pyridine;iridium;trimethyl-[6-(4-propan-2-ylbenzene-6-id-1-yl)-3-pyridinyl]germane
• SMILES: CC(C)c1c[c-]c(-c2ccc([Ge](C)(C)C)cn2)cc1.Cc1ccc(-c2ccc3c(c2)oc2c[c-]c(-c4cc(CC(C)(C)C)ccn4)cc23)cc1.[Ir]
• InChI: InChI=1S/C29H26NO.C17H22GeN.Ir/c1-19-5-7-21(8-6-19)22-9-11-24-25-16-23(10-12-27(25)31-28(24)17-22)26-15-20(13-14-30-26)18-29(2,3)4;1-13(2)14-6-8-15(9-7-14)17-11-10-16(12-19-17)18(3,4)5;/h5-9,11-17H,18H2,1-4H3;6-8,10-13H,1-5H3;/q2*-1
• InChIKey: UBZCTDZRWOVHJH-UHFFFAOYSA-N
• XLogP: 12.23
• TPSA: 38.92 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 6
• Heavy Atoms: 51
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	909.73
LogP ≤ 5	12.23
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-methylphenyl)-3H-dibenzofuran-3-id-2-yl]pyridine;iridium;trimethyl-[6-(4-propan-2-ylbenzene-6-id-1-yl)-3-pyridinyl]germane?

The IUPAC name of 4-(2,2-dimethylpropyl)-2-[7-(4-methylphenyl)-3H-dibenzofuran-3-id-2-yl]pyridine;iridium;trimethyl-[6-(4-propan-2-ylbenzene-6-id-1-yl)-3-pyridinyl]germane (CID 166576333) is 4-(2,2-dimethylpropyl)-2-[7-(4-methylphenyl)-3H-dibenzofuran-3-id-2-yl]pyridine;iridium;trimethyl-[6-(4-propan-2-ylbenzene-6-id-1-yl)-3-pyridinyl]germane.

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

The canonical SMILES for 4-(2,2-dimethylpropyl)-2-[7-(4-methylphenyl)-3H-dibenzofuran-3-id-2-yl]pyridine;iridium;trimethyl-[6-(4-propan-2-ylbenzene-6-id-1-yl)-3-pyridinyl]germane is CC(C)c1c[c-]c(-c2ccc([Ge](C)(C)C)cn2)cc1.Cc1ccc(-c2ccc3c(c2)oc2c[c-]c(-c4cc(CC(C)(C)C)ccn4)cc23)cc1.[Ir].

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

The InChIKey is UBZCTDZRWOVHJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H26NO.C17H22GeN.Ir/c1-19-5-7-21(8-6-19)22-9-11-24-25-16-23(10-12-27(25)31-28(24)17-22)26-15-20(13-14-30-26)18-29(2,3)4;1-13(2)14-6-8-15(9-7-14)17-11-10-16(12-19-17)18(3,4)5;/h5-9,11-17H,18H2,1-4H3;6-8,10-13H,1-5H3;/q2*-1;.

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

4-(2,2-dimethylpropyl)-2-[7-(4-methylphenyl)-3H-dibenzofuran-3-id-2-yl]pyridine;iridium;trimethyl-[6-(4-propan-2-ylbenzene-6-id-1-yl)-3-pyridinyl]germane has a molecular weight of 909.73 g/mol, XLogP of 12.23, 6 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-methylphenyl)-3H-dibenzofuran-3-id-2-yl]pyridine;iridium;trimethyl-[6-(4-propan-2-ylbenzene-6-id-1-yl)-3-pyridinyl]germane is sourced from PubChem (CID 166576333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).