4-[4-(2-deuteriopropan-2-yl)phenyl]-2-phenylpyridine

C20H19N — CID 140831627

IUPAC4-[4-(2-deuteriopropan-2-yl)phenyl]-2-phenylpyridine
SMILES[2H]C(C)(C)c1ccc(-c2ccnc(-c3ccccc3)c2)cc1
InChIInChI=1S/C20H19N/c1-15(2)16-8-10-17(11-9-16)19-12-13-21-20(14-19)18-6-4-3-5-7-18/h3-15H,1-2H3/i15D
InChIKeyQLTAXVHLJAYDJI-RWFJLFJASA-N
MW274.39 g/mol
LogP5.54
Rot. Bonds3

About 4-[4-(2-deuteriopropan-2-yl)phenyl]-2-phenylpyridine

4-[4-(2-deuteriopropan-2-yl)phenyl]-2-phenylpyridine (PubChem CID 140831627) has the molecular formula C20H19N and a molecular weight of 274.39 g/mol. Its IUPAC name is 4-[4-(2-deuteriopropan-2-yl)phenyl]-2-phenylpyridine.

Molecular Properties

Compound Name4-[4-(2-deuteriopropan-2-yl)phenyl]-2-phenylpyridine
PubChem CID140831627
Molecular FormulaC20H19N
Molecular Weight274.39 g/mol
Exact Mass274.16
IUPAC Name4-[4-(2-deuteriopropan-2-yl)phenyl]-2-phenylpyridine
SMILES[2H]C(C)(C)c1ccc(-c2ccnc(-c3ccccc3)c2)cc1
InChIInChI=1S/C20H19N/c1-15(2)16-8-10-17(11-9-16)19-12-13-21-20(14-19)18-6-4-3-5-7-18/h3-15H,1-2H3/i15D
InChIKeyQLTAXVHLJAYDJI-RWFJLFJASA-N
XLogP5.54
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500274.39
LogP ≤ 55.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 4-[4-(2-deuteriopropan-2-yl)phenyl]-2-phenylpyridine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(4-phenylphenyl)-4-(4-propan-2-ylphenyl)pyridine
CID 140599873
2-[3-(1-deuterio-1-phenylethyl)phenyl]-4-phenylpyridine
CID 162710584
4-[4-(1,1-dideuterio-2-methylpropyl)phenyl]-2-phenylpyridine
CID 166564030
4-phenyl-2-(3-phenylphenyl)pyridine
CID 58028222
osmium(2+);bis(4-phenyl-2-(4-phenyl-2-pyridinyl)pyridine)
CID 159449942
4-(3-phenylphenyl)-2-[4-[2-[3-[2-[4-[4-(3-phenylphenyl)-2-pyridinyl]phenyl]phenyl]phenyl]phenyl]phenyl]pyridine
CID 153434672
4-(2-deuteriopropan-2-yl)-2-(7-phenyldibenzofuran-2-yl)pyridine
CID 155611009
4-(4-phenylphenyl)-2-[3-[4-(trideuteriomethyl)phenyl]phenyl]pyridine
CID 159742768
2-phenyl-4-triphenylen-2-ylpyridine
CID 168743611
2-[4-(2-deuteriopropan-2-yl)phenyl]-4-[dideuterio(phenyl)methyl]-5-phenylpyridine
CID 162710408
5-(2-phenyl-4-pyridinyl)-2-(trideuteriomethyl)pyrimidine
CID 154623465
4-[4-(3-deuterio-3-bicyclo[3.1.1]heptanyl)phenyl]-2-phenylpyridine
CID 166564130

Frequently Asked Questions

What is the IUPAC name of 4-[4-(2-deuteriopropan-2-yl)phenyl]-2-phenylpyridine?
The IUPAC name of 4-[4-(2-deuteriopropan-2-yl)phenyl]-2-phenylpyridine (CID 140831627) is 4-[4-(2-deuteriopropan-2-yl)phenyl]-2-phenylpyridine.
What is the SMILES notation for 4-[4-(2-deuteriopropan-2-yl)phenyl]-2-phenylpyridine?
The canonical SMILES for 4-[4-(2-deuteriopropan-2-yl)phenyl]-2-phenylpyridine is [2H]C(C)(C)c1ccc(-c2ccnc(-c3ccccc3)c2)cc1.
What is the InChIKey of 4-[4-(2-deuteriopropan-2-yl)phenyl]-2-phenylpyridine?
The InChIKey is QLTAXVHLJAYDJI-RWFJLFJASA-N. The full InChI is InChI=1S/C20H19N/c1-15(2)16-8-10-17(11-9-16)19-12-13-21-20(14-19)18-6-4-3-5-7-18/h3-15H,1-2H3/i15D.
What are the key properties of 4-[4-(2-deuteriopropan-2-yl)phenyl]-2-phenylpyridine?
4-[4-(2-deuteriopropan-2-yl)phenyl]-2-phenylpyridine has a molecular weight of 274.39 g/mol, XLogP of 5.54, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(2-deuteriopropan-2-yl)phenyl]-2-phenylpyridine is sourced from PubChem (CID 140831627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).