2-[3-(1-deuterio-1-phenylethyl)phenyl]-4-phenylpyridine

C25H21N — CID 162710584

IUPAC2-[3-(1-deuterio-1-phenylethyl)phenyl]-4-phenylpyridine
SMILES[2H]C(C)(c1ccccc1)c1cccc(-c2cc(-c3ccccc3)ccn2)c1
InChIInChI=1S/C25H21N/c1-19(20-9-4-2-5-10-20)22-13-8-14-24(17-22)25-18-23(15-16-26-25)21-11-6-3-7-12-21/h2-19H,1H3/i19D
InChIKeyKYAZRCZHOUBQSO-YUIGOLOMSA-N
MW336.46 g/mol
LogP6.57
Rot. Bonds4

About 2-[3-(1-deuterio-1-phenylethyl)phenyl]-4-phenylpyridine

2-[3-(1-deuterio-1-phenylethyl)phenyl]-4-phenylpyridine (PubChem CID 162710584) has the molecular formula C25H21N and a molecular weight of 336.46 g/mol. Its IUPAC name is 2-[3-(1-deuterio-1-phenylethyl)phenyl]-4-phenylpyridine.

Molecular Properties

Compound Name2-[3-(1-deuterio-1-phenylethyl)phenyl]-4-phenylpyridine
PubChem CID162710584
Molecular FormulaC25H21N
Molecular Weight336.46 g/mol
Exact Mass336.17
IUPAC Name2-[3-(1-deuterio-1-phenylethyl)phenyl]-4-phenylpyridine
SMILES[2H]C(C)(c1ccccc1)c1cccc(-c2cc(-c3ccccc3)ccn2)c1
InChIInChI=1S/C25H21N/c1-19(20-9-4-2-5-10-20)22-13-8-14-24(17-22)25-18-23(15-16-26-25)21-11-6-3-7-12-21/h2-19H,1H3/i19D
InChIKeyKYAZRCZHOUBQSO-YUIGOLOMSA-N
XLogP6.57
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500336.46
LogP ≤ 56.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

4-[4-(2-deuteriopropan-2-yl)phenyl]-2-phenylpyridine
CID 140831627
4-phenyl-2-(3-phenylphenyl)pyridine
CID 58028222
2-(4-phenylphenyl)-4-(4-propan-2-ylphenyl)pyridine
CID 140599873
4-(4-phenylphenyl)-2-[3-[4-(trideuteriomethyl)phenyl]phenyl]pyridine
CID 159742768
osmium(2+);bis(4-phenyl-2-(4-phenyl-2-pyridinyl)pyridine)
CID 159449942
4-[4-(1,1-dideuterio-2-methylpropyl)phenyl]-2-phenylpyridine
CID 166564030
2-[3-(3-propan-2-ylphenyl)phenyl]pyridine
CID 161030255
4-phenyl-2-(3-propylphenyl)pyridine
CID 144632078
4-(3-phenylphenyl)-2-[4-[2-[3-[2-[4-[4-(3-phenylphenyl)-2-pyridinyl]phenyl]phenyl]phenyl]phenyl]phenyl]pyridine
CID 153434672
tris(4-tert-butyl-2-(3-phenylphenyl)pyridine);iridium(3+)
CID 161156371
4-(3-ethylphenyl)-2-phenylpyridine
CID 140601349
dimethyl-phenyl-[2-(3-phenylphenyl)-4-pyridinyl]germane
CID 140726269

Frequently Asked Questions

What is the IUPAC name of 2-[3-(1-deuterio-1-phenylethyl)phenyl]-4-phenylpyridine?
The IUPAC name of 2-[3-(1-deuterio-1-phenylethyl)phenyl]-4-phenylpyridine (CID 162710584) is 2-[3-(1-deuterio-1-phenylethyl)phenyl]-4-phenylpyridine.
What is the SMILES notation for 2-[3-(1-deuterio-1-phenylethyl)phenyl]-4-phenylpyridine?
The canonical SMILES for 2-[3-(1-deuterio-1-phenylethyl)phenyl]-4-phenylpyridine is [2H]C(C)(c1ccccc1)c1cccc(-c2cc(-c3ccccc3)ccn2)c1.
What is the InChIKey of 2-[3-(1-deuterio-1-phenylethyl)phenyl]-4-phenylpyridine?
The InChIKey is KYAZRCZHOUBQSO-YUIGOLOMSA-N. The full InChI is InChI=1S/C25H21N/c1-19(20-9-4-2-5-10-20)22-13-8-14-24(17-22)25-18-23(15-16-26-25)21-11-6-3-7-12-21/h2-19H,1H3/i19D.
What are the key properties of 2-[3-(1-deuterio-1-phenylethyl)phenyl]-4-phenylpyridine?
2-[3-(1-deuterio-1-phenylethyl)phenyl]-4-phenylpyridine has a molecular weight of 336.46 g/mol, XLogP of 6.57, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(1-deuterio-1-phenylethyl)phenyl]-4-phenylpyridine is sourced from PubChem (CID 162710584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).