6-(2-ethenyl-5-phenylphenyl)-3-methyl-1,2-dihydropyridine

C20H19N — CID 144876519

IUPAC6-(2-ethenyl-5-phenylphenyl)-3-methyl-1,2-dihydropyridine
SMILESC=Cc1ccc(-c2ccccc2)cc1C1=CC=C(C)CN1
InChIInChI=1S/C20H19N/c1-3-16-10-11-18(17-7-5-4-6-8-17)13-19(16)20-12-9-15(2)14-21-20/h3-13,21H,1,14H2,2H3
InChIKeyDEALBIQCIOUKGH-UHFFFAOYSA-N
MW273.38 g/mol
LogP4.89
Rot. Bonds3

About 6-(2-ethenyl-5-phenylphenyl)-3-methyl-1,2-dihydropyridine

6-(2-ethenyl-5-phenylphenyl)-3-methyl-1,2-dihydropyridine (PubChem CID 144876519) has the molecular formula C20H19N and a molecular weight of 273.38 g/mol. Its IUPAC name is 6-(2-ethenyl-5-phenylphenyl)-3-methyl-1,2-dihydropyridine.

Molecular Properties

Compound Name6-(2-ethenyl-5-phenylphenyl)-3-methyl-1,2-dihydropyridine
PubChem CID144876519
Molecular FormulaC20H19N
Molecular Weight273.38 g/mol
Exact Mass273.15
IUPAC Name6-(2-ethenyl-5-phenylphenyl)-3-methyl-1,2-dihydropyridine
SMILESC=Cc1ccc(-c2ccccc2)cc1C1=CC=C(C)CN1
InChIInChI=1S/C20H19N/c1-3-16-10-11-18(17-7-5-4-6-8-17)13-19(16)20-12-9-15(2)14-21-20/h3-13,21H,1,14H2,2H3
InChIKeyDEALBIQCIOUKGH-UHFFFAOYSA-N
XLogP4.89
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms21
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 54.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 6-(2-ethenyl-5-phenylphenyl)-3-methyl-1,2-dihydropyridine?
The IUPAC name of 6-(2-ethenyl-5-phenylphenyl)-3-methyl-1,2-dihydropyridine (CID 144876519) is 6-(2-ethenyl-5-phenylphenyl)-3-methyl-1,2-dihydropyridine.
What is the SMILES notation for 6-(2-ethenyl-5-phenylphenyl)-3-methyl-1,2-dihydropyridine?
The canonical SMILES for 6-(2-ethenyl-5-phenylphenyl)-3-methyl-1,2-dihydropyridine is C=Cc1ccc(-c2ccccc2)cc1C1=CC=C(C)CN1.
What is the InChIKey of 6-(2-ethenyl-5-phenylphenyl)-3-methyl-1,2-dihydropyridine?
The InChIKey is DEALBIQCIOUKGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N/c1-3-16-10-11-18(17-7-5-4-6-8-17)13-19(16)20-12-9-15(2)14-21-20/h3-13,21H,1,14H2,2H3.
What are the key properties of 6-(2-ethenyl-5-phenylphenyl)-3-methyl-1,2-dihydropyridine?
6-(2-ethenyl-5-phenylphenyl)-3-methyl-1,2-dihydropyridine has a molecular weight of 273.38 g/mol, XLogP of 4.89, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-ethenyl-5-phenylphenyl)-3-methyl-1,2-dihydropyridine is sourced from PubChem (CID 144876519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).