3,5-dimethyl-2-(3-methyl-4-phenylphenyl)pyridine

C20H19N — CID 140847672

IUPAC3,5-dimethyl-2-(3-methyl-4-phenylphenyl)pyridine
SMILESCc1cnc(-c2ccc(-c3ccccc3)c(C)c2)c(C)c1
InChIInChI=1S/C20H19N/c1-14-11-16(3)20(21-13-14)18-9-10-19(15(2)12-18)17-7-5-4-6-8-17/h4-13H,1-3H3
InChIKeyNISUSOYGCFYKSA-UHFFFAOYSA-N
MW273.38 g/mol
LogP5.34
Rot. Bonds2

About 3,5-dimethyl-2-(3-methyl-4-phenylphenyl)pyridine

3,5-dimethyl-2-(3-methyl-4-phenylphenyl)pyridine (PubChem CID 140847672) has the molecular formula C20H19N and a molecular weight of 273.38 g/mol. Its IUPAC name is 3,5-dimethyl-2-(3-methyl-4-phenylphenyl)pyridine.

Molecular Properties

Compound Name3,5-dimethyl-2-(3-methyl-4-phenylphenyl)pyridine
PubChem CID140847672
Molecular FormulaC20H19N
Molecular Weight273.38 g/mol
Exact Mass273.15
IUPAC Name3,5-dimethyl-2-(3-methyl-4-phenylphenyl)pyridine
SMILESCc1cnc(-c2ccc(-c3ccccc3)c(C)c2)c(C)c1
InChIInChI=1S/C20H19N/c1-14-11-16(3)20(21-13-14)18-9-10-19(15(2)12-18)17-7-5-4-6-8-17/h4-13H,1-3H3
InChIKeyNISUSOYGCFYKSA-UHFFFAOYSA-N
XLogP5.34
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms21
Complexity

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500273.38
LogP ≤ 55.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-2-(3-methyl-4-phenylphenyl)pyridine?
The IUPAC name of 3,5-dimethyl-2-(3-methyl-4-phenylphenyl)pyridine (CID 140847672) is 3,5-dimethyl-2-(3-methyl-4-phenylphenyl)pyridine.
What is the SMILES notation for 3,5-dimethyl-2-(3-methyl-4-phenylphenyl)pyridine?
The canonical SMILES for 3,5-dimethyl-2-(3-methyl-4-phenylphenyl)pyridine is Cc1cnc(-c2ccc(-c3ccccc3)c(C)c2)c(C)c1.
What is the InChIKey of 3,5-dimethyl-2-(3-methyl-4-phenylphenyl)pyridine?
The InChIKey is NISUSOYGCFYKSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N/c1-14-11-16(3)20(21-13-14)18-9-10-19(15(2)12-18)17-7-5-4-6-8-17/h4-13H,1-3H3.
What are the key properties of 3,5-dimethyl-2-(3-methyl-4-phenylphenyl)pyridine?
3,5-dimethyl-2-(3-methyl-4-phenylphenyl)pyridine has a molecular weight of 273.38 g/mol, XLogP of 5.34, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-2-(3-methyl-4-phenylphenyl)pyridine is sourced from PubChem (CID 140847672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).