2-[5-(3,5-dimethylphenyl)-2-ethenylphenyl]-1,2-dihydropyridine

C21H21N — CID 126589995

IUPAC2-[5-(3,5-dimethylphenyl)-2-ethenylphenyl]-1,2-dihydropyridine
SMILESC=Cc1ccc(-c2cc(C)cc(C)c2)cc1C1C=CC=CN1
InChIInChI=1S/C21H21N/c1-4-17-8-9-18(19-12-15(2)11-16(3)13-19)14-20(17)21-7-5-6-10-22-21/h4-14,21-22H,1H2,2-3H3
InChIKeyNYAQHPJUSSNHDT-UHFFFAOYSA-N
MW287.41 g/mol
LogP5.33
Rot. Bonds3

About 2-[5-(3,5-dimethylphenyl)-2-ethenylphenyl]-1,2-dihydropyridine

2-[5-(3,5-dimethylphenyl)-2-ethenylphenyl]-1,2-dihydropyridine (PubChem CID 126589995) has the molecular formula C21H21N and a molecular weight of 287.41 g/mol. Its IUPAC name is 2-[5-(3,5-dimethylphenyl)-2-ethenylphenyl]-1,2-dihydropyridine.

Molecular Properties

Compound Name2-[5-(3,5-dimethylphenyl)-2-ethenylphenyl]-1,2-dihydropyridine
PubChem CID126589995
Molecular FormulaC21H21N
Molecular Weight287.41 g/mol
Exact Mass287.17
IUPAC Name2-[5-(3,5-dimethylphenyl)-2-ethenylphenyl]-1,2-dihydropyridine
SMILESC=Cc1ccc(-c2cc(C)cc(C)c2)cc1C1C=CC=CN1
InChIInChI=1S/C21H21N/c1-4-17-8-9-18(19-12-15(2)11-16(3)13-19)14-20(17)21-7-5-6-10-22-21/h4-14,21-22H,1H2,2-3H3
InChIKeyNYAQHPJUSSNHDT-UHFFFAOYSA-N
XLogP5.33
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500287.41
LogP ≤ 55.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-[5-(3,5-dimethylphenyl)-2-ethenylphenyl]-1,2-dihydropyridine?
The IUPAC name of 2-[5-(3,5-dimethylphenyl)-2-ethenylphenyl]-1,2-dihydropyridine (CID 126589995) is 2-[5-(3,5-dimethylphenyl)-2-ethenylphenyl]-1,2-dihydropyridine.
What is the SMILES notation for 2-[5-(3,5-dimethylphenyl)-2-ethenylphenyl]-1,2-dihydropyridine?
The canonical SMILES for 2-[5-(3,5-dimethylphenyl)-2-ethenylphenyl]-1,2-dihydropyridine is C=Cc1ccc(-c2cc(C)cc(C)c2)cc1C1C=CC=CN1.
What is the InChIKey of 2-[5-(3,5-dimethylphenyl)-2-ethenylphenyl]-1,2-dihydropyridine?
The InChIKey is NYAQHPJUSSNHDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N/c1-4-17-8-9-18(19-12-15(2)11-16(3)13-19)14-20(17)21-7-5-6-10-22-21/h4-14,21-22H,1H2,2-3H3.
What are the key properties of 2-[5-(3,5-dimethylphenyl)-2-ethenylphenyl]-1,2-dihydropyridine?
2-[5-(3,5-dimethylphenyl)-2-ethenylphenyl]-1,2-dihydropyridine has a molecular weight of 287.41 g/mol, XLogP of 5.33, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(3,5-dimethylphenyl)-2-ethenylphenyl]-1,2-dihydropyridine is sourced from PubChem (CID 126589995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).