5-(2-deuteriopropan-2-yl)-2-[2-methyl-5-phenyl-4-(trideuteriomethyl)phenyl]pyridine

C22H23N — CID 166503371

IUPAC5-(2-deuteriopropan-2-yl)-2-[2-methyl-5-phenyl-4-(trideuteriomethyl)phenyl]pyridine
SMILES[2H]C([2H])([2H])c1cc(C)c(-c2ccc(C([2H])(C)C)cn2)cc1-c1ccccc1
InChIInChI=1S/C22H23N/c1-15(2)19-10-11-22(23-14-19)21-13-20(16(3)12-17(21)4)18-8-6-5-7-9-18/h5-15H,1-4H3/i3D3,15D
InChIKeyXGVAGJUEQKXRFS-VWJHETFLSA-N
MW305.46 g/mol
LogP6.16
Rot. Bonds4

About 5-(2-deuteriopropan-2-yl)-2-[2-methyl-5-phenyl-4-(trideuteriomethyl)phenyl]pyridine

5-(2-deuteriopropan-2-yl)-2-[2-methyl-5-phenyl-4-(trideuteriomethyl)phenyl]pyridine (PubChem CID 166503371) has the molecular formula C22H23N and a molecular weight of 305.46 g/mol. Its IUPAC name is 5-(2-deuteriopropan-2-yl)-2-[2-methyl-5-phenyl-4-(trideuteriomethyl)phenyl]pyridine.

Molecular Properties

Compound Name5-(2-deuteriopropan-2-yl)-2-[2-methyl-5-phenyl-4-(trideuteriomethyl)phenyl]pyridine
PubChem CID166503371
Molecular FormulaC22H23N
Molecular Weight305.46 g/mol
Exact Mass305.21
IUPAC Name5-(2-deuteriopropan-2-yl)-2-[2-methyl-5-phenyl-4-(trideuteriomethyl)phenyl]pyridine
SMILES[2H]C([2H])([2H])c1cc(C)c(-c2ccc(C([2H])(C)C)cn2)cc1-c1ccccc1
InChIInChI=1S/C22H23N/c1-15(2)19-10-11-22(23-14-19)21-13-20(16(3)12-17(21)4)18-8-6-5-7-9-18/h5-15H,1-4H3/i3D3,15D
InChIKeyXGVAGJUEQKXRFS-VWJHETFLSA-N
XLogP6.16
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500305.46
LogP ≤ 56.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-(2,4-dimethyl-5-phenylphenyl)-5-methyl-4-propan-2-ylpyridine
CID 170364620
2-(2,4-dimethyl-5-phenylphenyl)-5-(2,2-dimethylpropyl)-4-methylpyridine
CID 168721242
2-(4-methyl-5-phenyl-2-pyridin-2-ylphenyl)pyridine
CID 146397355
2-[4-(2-deuteriopropan-2-yl)phenyl]-4-[dideuterio(phenyl)methyl]-5-phenylpyridine
CID 162710408
iridium;tris(4-methyl-2,5-diphenylpyridine)
CID 158257140
[4-(2-deuteriopropan-2-yl)-6-(4-methyl-3-phenylphenyl)-3-pyridinyl]-trimethylsilane
CID 166578513
5-(1,1,1,2,3,3,3-heptadeuteriopropan-2-yl)-1-methyl-2-[2-methyl-5-phenyl-4-(trideuteriomethyl)phenyl]-4-propan-2-ylsulfanylpyridin-1-ium
CID 177095977
4-tert-butyl-1-methyl-2-[2-methyl-5-phenyl-4-(trideuteriomethyl)phenyl]-5-(trideuteriomethyl)pyrimidin-1-ium
CID 172534851
2-[1-(1-deuterio-1-phenylethyl)dibenzofuran-4-yl]-5-phenyl-4-(trideuteriomethyl)pyridine
CID 162709912
1-methyl-2-[2-methyl-5-phenyl-4-(trideuteriomethyl)phenyl]-4-(trideuteriomethyl)pyrimidin-1-ium
CID 176617876
1-methyl-2-[2-methyl-5-phenyl-4-(trideuteriomethyl)phenyl]-4-[2-(trideuteriomethyl)phenyl]pyridin-1-ium
CID 140920657
2-phenyl-5-[2-(trideuteriomethyl)phenyl]pyridine
CID 59546973

Frequently Asked Questions

What is the IUPAC name of 5-(2-deuteriopropan-2-yl)-2-[2-methyl-5-phenyl-4-(trideuteriomethyl)phenyl]pyridine?
The IUPAC name of 5-(2-deuteriopropan-2-yl)-2-[2-methyl-5-phenyl-4-(trideuteriomethyl)phenyl]pyridine (CID 166503371) is 5-(2-deuteriopropan-2-yl)-2-[2-methyl-5-phenyl-4-(trideuteriomethyl)phenyl]pyridine.
What is the SMILES notation for 5-(2-deuteriopropan-2-yl)-2-[2-methyl-5-phenyl-4-(trideuteriomethyl)phenyl]pyridine?
The canonical SMILES for 5-(2-deuteriopropan-2-yl)-2-[2-methyl-5-phenyl-4-(trideuteriomethyl)phenyl]pyridine is [2H]C([2H])([2H])c1cc(C)c(-c2ccc(C([2H])(C)C)cn2)cc1-c1ccccc1.
What is the InChIKey of 5-(2-deuteriopropan-2-yl)-2-[2-methyl-5-phenyl-4-(trideuteriomethyl)phenyl]pyridine?
The InChIKey is XGVAGJUEQKXRFS-VWJHETFLSA-N. The full InChI is InChI=1S/C22H23N/c1-15(2)19-10-11-22(23-14-19)21-13-20(16(3)12-17(21)4)18-8-6-5-7-9-18/h5-15H,1-4H3/i3D3,15D.
What are the key properties of 5-(2-deuteriopropan-2-yl)-2-[2-methyl-5-phenyl-4-(trideuteriomethyl)phenyl]pyridine?
5-(2-deuteriopropan-2-yl)-2-[2-methyl-5-phenyl-4-(trideuteriomethyl)phenyl]pyridine has a molecular weight of 305.46 g/mol, XLogP of 6.16, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-deuteriopropan-2-yl)-2-[2-methyl-5-phenyl-4-(trideuteriomethyl)phenyl]pyridine is sourced from PubChem (CID 166503371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).