1-methyl-4-(1,1,1,2-tetradeuteriopropan-2-yl)-2-(2,9,9-trimethylfluoren-1-yl)pyridin-1-ium

C25H28N+ — CID 158916879

About 1-methyl-4-(1,1,1,2-tetradeuteriopropan-2-yl)-2-(2,9,9-trimethylfluoren-1-yl)pyridin-1-ium

1-methyl-4-(1,1,1,2-tetradeuteriopropan-2-yl)-2-(2,9,9-trimethylfluoren-1-yl)pyridin-1-ium (PubChem CID 158916879) has the molecular formula C25H28N+ and a molecular weight of 346.53 g/mol. Its IUPAC name is 1-methyl-4-(1,1,1,2-tetradeuteriopropan-2-yl)-2-(2,9,9-trimethylfluoren-1-yl)pyridin-1-ium.

Molecular Properties

• Compound Name: 1-methyl-4-(1,1,1,2-tetradeuteriopropan-2-yl)-2-(2,9,9-trimethylfluoren-1-yl)pyridin-1-ium
• PubChem CID: 158916879
• Molecular Formula: C25H28N+
• Molecular Weight: 346.53 g/mol
• Exact Mass: 346.25
• IUPAC Name: 1-methyl-4-(1,1,1,2-tetradeuteriopropan-2-yl)-2-(2,9,9-trimethylfluoren-1-yl)pyridin-1-ium
• SMILES: [2H]C([2H])([2H])C([2H])(C)c1cc[n+](C)c(-c2c(C)ccc3c2C(C)(C)c2ccccc2-3)c1
• InChI: InChI=1S/C25H28N/c1-16(2)18-13-14-26(6)22(15-18)23-17(3)11-12-20-19-9-7-8-10-21(19)25(4,5)24(20)23/h7-16H,1-6H3/q+1/i1D3,16D
• InChIKey: FRNPXJFLDJCORG-KFHHUZHISA-N
• XLogP: 5.92
• TPSA: 3.88 Ų
• Rotatable Bonds: 3
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	346.53
LogP ≤ 5	5.92
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	0

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-(1,1,1,2-tetradeuteriopropan-2-yl)-2-(2,9,9-trimethylfluoren-1-yl)pyridin-1-ium?

The IUPAC name of 1-methyl-4-(1,1,1,2-tetradeuteriopropan-2-yl)-2-(2,9,9-trimethylfluoren-1-yl)pyridin-1-ium (CID 158916879) is 1-methyl-4-(1,1,1,2-tetradeuteriopropan-2-yl)-2-(2,9,9-trimethylfluoren-1-yl)pyridin-1-ium.

What is the SMILES notation for 1-methyl-4-(1,1,1,2-tetradeuteriopropan-2-yl)-2-(2,9,9-trimethylfluoren-1-yl)pyridin-1-ium?

The canonical SMILES for 1-methyl-4-(1,1,1,2-tetradeuteriopropan-2-yl)-2-(2,9,9-trimethylfluoren-1-yl)pyridin-1-ium is [2H]C([2H])([2H])C([2H])(C)c1cc[n+](C)c(-c2c(C)ccc3c2C(C)(C)c2ccccc2-3)c1.

What is the InChIKey of 1-methyl-4-(1,1,1,2-tetradeuteriopropan-2-yl)-2-(2,9,9-trimethylfluoren-1-yl)pyridin-1-ium?

The InChIKey is FRNPXJFLDJCORG-KFHHUZHISA-N. The full InChI is InChI=1S/C25H28N/c1-16(2)18-13-14-26(6)22(15-18)23-17(3)11-12-20-19-9-7-8-10-21(19)25(4,5)24(20)23/h7-16H,1-6H3/q+1/i1D3,16D.

What are the key properties of 1-methyl-4-(1,1,1,2-tetradeuteriopropan-2-yl)-2-(2,9,9-trimethylfluoren-1-yl)pyridin-1-ium?

1-methyl-4-(1,1,1,2-tetradeuteriopropan-2-yl)-2-(2,9,9-trimethylfluoren-1-yl)pyridin-1-ium has a molecular weight of 346.53 g/mol, XLogP of 5.92, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.

Where does this data come from?

All data for 1-methyl-4-(1,1,1,2-tetradeuteriopropan-2-yl)-2-(2,9,9-trimethylfluoren-1-yl)pyridin-1-ium is sourced from PubChem (CID 158916879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).