2-[3-benzyl-4-[dideuterio(phenyl)methyl]phenyl]-4-(2,4,6-trimethylphenyl)pyridine

C34H31N — CID 162708061

IUPAC2-[3-benzyl-4-[dideuterio(phenyl)methyl]phenyl]-4-(2,4,6-trimethylphenyl)pyridine
SMILES[2H]C([2H])(c1ccccc1)c1ccc(-c2cc(-c3c(C)cc(C)cc3C)ccn2)cc1Cc1ccccc1
InChIInChI=1S/C34H31N/c1-24-18-25(2)34(26(3)19-24)31-16-17-35-33(23-31)30-15-14-29(20-27-10-6-4-7-11-27)32(22-30)21-28-12-8-5-9-13-28/h4-19,22-23H,20-21H2,1-3H3/i20D2
InChIKeyVEYLLQVCOLQNGN-FCLBBQIASA-N
MW455.64 g/mol
LogP8.52
Rot. Bonds6

About 2-[3-benzyl-4-[dideuterio(phenyl)methyl]phenyl]-4-(2,4,6-trimethylphenyl)pyridine

2-[3-benzyl-4-[dideuterio(phenyl)methyl]phenyl]-4-(2,4,6-trimethylphenyl)pyridine (PubChem CID 162708061) has the molecular formula C34H31N and a molecular weight of 455.64 g/mol. Its IUPAC name is 2-[3-benzyl-4-[dideuterio(phenyl)methyl]phenyl]-4-(2,4,6-trimethylphenyl)pyridine.

Molecular Properties

Compound Name2-[3-benzyl-4-[dideuterio(phenyl)methyl]phenyl]-4-(2,4,6-trimethylphenyl)pyridine
PubChem CID162708061
Molecular FormulaC34H31N
Molecular Weight455.64 g/mol
Exact Mass455.26
IUPAC Name2-[3-benzyl-4-[dideuterio(phenyl)methyl]phenyl]-4-(2,4,6-trimethylphenyl)pyridine
SMILES[2H]C([2H])(c1ccccc1)c1ccc(-c2cc(-c3c(C)cc(C)cc3C)ccn2)cc1Cc1ccccc1
InChIInChI=1S/C34H31N/c1-24-18-25(2)34(26(3)19-24)31-16-17-35-33(23-31)30-15-14-29(20-27-10-6-4-7-11-27)32(22-30)21-28-12-8-5-9-13-28/h4-19,22-23H,20-21H2,1-3H3/i20D2
InChIKeyVEYLLQVCOLQNGN-FCLBBQIASA-N
XLogP8.52
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500455.64
LogP ≤ 58.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-[3-[dideuterio(phenyl)methyl]-4-(trideuteriomethyl)phenyl]-4-(trideuteriomethyl)pyridine
CID 162709845
4-(2,6-dimethylphenyl)-2-naphthalen-2-ylpyridine
CID 140733756
2-[3-[dideuterio(phenyl)methyl]-4-(trideuteriomethyl)phenyl]pyridine
CID 162707478
4-(2,6-dimethylphenyl)-2-[3-[3-(6-phenylhexyl)phenyl]phenyl]pyridine
CID 155602159
5-benzyl-2-[6-[3-[4-(2,6-dimethylphenyl)-2-pyridinyl]phenyl]-4-phenyl-2-pyridinyl]phenol
CID 164742868
2-(3-benzyl-4-methylphenyl)-4-methyl-5-phenylpyridine
CID 162709142
4-benzyl-5-methyl-2-phenylpyridine
CID 162707148
5-benzyl-4-methyl-2-phenylpyridine
CID 162710232
2-phenyl-4-(6,8,16,18-tetramethyl-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4,6,8,11,15,17,19-nonaen-12-yl)pyridine
CID 164802902
2-(3,4-diethylphenyl)-1,3,5-trimethylbenzene
CID 91665788
2-bromo-4-(2,4,6-trimethylphenyl)pyridine
CID 168984492
4-(2-methylphenyl)-2-phenylpyridine
CID 58435073

Frequently Asked Questions

What is the IUPAC name of 2-[3-benzyl-4-[dideuterio(phenyl)methyl]phenyl]-4-(2,4,6-trimethylphenyl)pyridine?
The IUPAC name of 2-[3-benzyl-4-[dideuterio(phenyl)methyl]phenyl]-4-(2,4,6-trimethylphenyl)pyridine (CID 162708061) is 2-[3-benzyl-4-[dideuterio(phenyl)methyl]phenyl]-4-(2,4,6-trimethylphenyl)pyridine.
What is the SMILES notation for 2-[3-benzyl-4-[dideuterio(phenyl)methyl]phenyl]-4-(2,4,6-trimethylphenyl)pyridine?
The canonical SMILES for 2-[3-benzyl-4-[dideuterio(phenyl)methyl]phenyl]-4-(2,4,6-trimethylphenyl)pyridine is [2H]C([2H])(c1ccccc1)c1ccc(-c2cc(-c3c(C)cc(C)cc3C)ccn2)cc1Cc1ccccc1.
What is the InChIKey of 2-[3-benzyl-4-[dideuterio(phenyl)methyl]phenyl]-4-(2,4,6-trimethylphenyl)pyridine?
The InChIKey is VEYLLQVCOLQNGN-FCLBBQIASA-N. The full InChI is InChI=1S/C34H31N/c1-24-18-25(2)34(26(3)19-24)31-16-17-35-33(23-31)30-15-14-29(20-27-10-6-4-7-11-27)32(22-30)21-28-12-8-5-9-13-28/h4-19,22-23H,20-21H2,1-3H3/i20D2.
What are the key properties of 2-[3-benzyl-4-[dideuterio(phenyl)methyl]phenyl]-4-(2,4,6-trimethylphenyl)pyridine?
2-[3-benzyl-4-[dideuterio(phenyl)methyl]phenyl]-4-(2,4,6-trimethylphenyl)pyridine has a molecular weight of 455.64 g/mol, XLogP of 8.52, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-benzyl-4-[dideuterio(phenyl)methyl]phenyl]-4-(2,4,6-trimethylphenyl)pyridine is sourced from PubChem (CID 162708061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).