trimethyl-[1-methyl-6-(3-methyldibenzofuran-4-yl)-4-(2-methylpropyl)pyridin-1-ium-3-yl]germane

C26H32GeNO+ — CID 167365044

About trimethyl-[1-methyl-6-(3-methyldibenzofuran-4-yl)-4-(2-methylpropyl)pyridin-1-ium-3-yl]germane

trimethyl-[1-methyl-6-(3-methyldibenzofuran-4-yl)-4-(2-methylpropyl)pyridin-1-ium-3-yl]germane (PubChem CID 167365044) has the molecular formula C26H32GeNO+ and a molecular weight of 447.16 g/mol. Its IUPAC name is trimethyl-[1-methyl-6-(3-methyldibenzofuran-4-yl)-4-(2-methylpropyl)pyridin-1-ium-3-yl]germane.

Molecular Properties

• Compound Name: trimethyl-[1-methyl-6-(3-methyldibenzofuran-4-yl)-4-(2-methylpropyl)pyridin-1-ium-3-yl]germane
• PubChem CID: 167365044
• Molecular Formula: C26H32GeNO+
• Molecular Weight: 447.16 g/mol
• Exact Mass: 448.17
• IUPAC Name: trimethyl-[1-methyl-6-(3-methyldibenzofuran-4-yl)-4-(2-methylpropyl)pyridin-1-ium-3-yl]germane
• SMILES: Cc1ccc2c(oc3ccccc32)c1-c1cc(CC(C)C)c([Ge](C)(C)C)c[n+]1C
• InChI: InChI=1S/C26H32GeNO/c1-17(2)14-19-15-23(28(7)16-22(19)27(4,5)6)25-18(3)12-13-21-20-10-8-9-11-24(20)29-26(21)25/h8-13,15-17H,14H2,1-7H3/q+1
• InChIKey: HTEXUNIWKBKNGJ-UHFFFAOYSA-N
• XLogP: 6.13
• TPSA: 17.02 Ų
• H-Bond Acceptors: 1
• Rotatable Bonds: 4
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	447.16
LogP ≤ 5	6.13
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	1

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of trimethyl-[1-methyl-6-(3-methyldibenzofuran-4-yl)-4-(2-methylpropyl)pyridin-1-ium-3-yl]germane?

The IUPAC name of trimethyl-[1-methyl-6-(3-methyldibenzofuran-4-yl)-4-(2-methylpropyl)pyridin-1-ium-3-yl]germane (CID 167365044) is trimethyl-[1-methyl-6-(3-methyldibenzofuran-4-yl)-4-(2-methylpropyl)pyridin-1-ium-3-yl]germane.

What is the SMILES notation for trimethyl-[1-methyl-6-(3-methyldibenzofuran-4-yl)-4-(2-methylpropyl)pyridin-1-ium-3-yl]germane?

The canonical SMILES for trimethyl-[1-methyl-6-(3-methyldibenzofuran-4-yl)-4-(2-methylpropyl)pyridin-1-ium-3-yl]germane is Cc1ccc2c(oc3ccccc32)c1-c1cc(CC(C)C)c([Ge](C)(C)C)c[n+]1C.

What is the InChIKey of trimethyl-[1-methyl-6-(3-methyldibenzofuran-4-yl)-4-(2-methylpropyl)pyridin-1-ium-3-yl]germane?

The InChIKey is HTEXUNIWKBKNGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32GeNO/c1-17(2)14-19-15-23(28(7)16-22(19)27(4,5)6)25-18(3)12-13-21-20-10-8-9-11-24(20)29-26(21)25/h8-13,15-17H,14H2,1-7H3/q+1.

What are the key properties of trimethyl-[1-methyl-6-(3-methyldibenzofuran-4-yl)-4-(2-methylpropyl)pyridin-1-ium-3-yl]germane?

trimethyl-[1-methyl-6-(3-methyldibenzofuran-4-yl)-4-(2-methylpropyl)pyridin-1-ium-3-yl]germane has a molecular weight of 447.16 g/mol, XLogP of 6.13, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.

Where does this data come from?

All data for trimethyl-[1-methyl-6-(3-methyldibenzofuran-4-yl)-4-(2-methylpropyl)pyridin-1-ium-3-yl]germane is sourced from PubChem (CID 167365044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).