2-[2-ethenyl-5-[3-(2-methylpropyl)phenyl]phenyl]-1,2-dihydropyridine

C23H25N — CID 145295491

IUPAC2-[2-ethenyl-5-[3-(2-methylpropyl)phenyl]phenyl]-1,2-dihydropyridine
SMILESC=Cc1ccc(-c2cccc(CC(C)C)c2)cc1C1C=CC=CN1
InChIInChI=1S/C23H25N/c1-4-19-11-12-21(16-22(19)23-10-5-6-13-24-23)20-9-7-8-18(15-20)14-17(2)3/h4-13,15-17,23-24H,1,14H2,2-3H3
InChIKeyBYFMVSNWHCGBLA-UHFFFAOYSA-N
MW315.46 g/mol
LogP5.91
Rot. Bonds5

About 2-[2-ethenyl-5-[3-(2-methylpropyl)phenyl]phenyl]-1,2-dihydropyridine

2-[2-ethenyl-5-[3-(2-methylpropyl)phenyl]phenyl]-1,2-dihydropyridine (PubChem CID 145295491) has the molecular formula C23H25N and a molecular weight of 315.46 g/mol. Its IUPAC name is 2-[2-ethenyl-5-[3-(2-methylpropyl)phenyl]phenyl]-1,2-dihydropyridine.

Molecular Properties

Compound Name2-[2-ethenyl-5-[3-(2-methylpropyl)phenyl]phenyl]-1,2-dihydropyridine
PubChem CID145295491
Molecular FormulaC23H25N
Molecular Weight315.46 g/mol
Exact Mass315.20
IUPAC Name2-[2-ethenyl-5-[3-(2-methylpropyl)phenyl]phenyl]-1,2-dihydropyridine
SMILESC=Cc1ccc(-c2cccc(CC(C)C)c2)cc1C1C=CC=CN1
InChIInChI=1S/C23H25N/c1-4-19-11-12-21(16-22(19)23-10-5-6-13-24-23)20-9-7-8-18(15-20)14-17(2)3/h4-13,15-17,23-24H,1,14H2,2-3H3
InChIKeyBYFMVSNWHCGBLA-UHFFFAOYSA-N
XLogP5.91
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500315.46
LogP ≤ 55.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-[5-(3,5-dimethylphenyl)-2-ethenylphenyl]-1,2-dihydropyridine
CID 126589995
acetylene;1-ethenyl-2-[[(6E)-5-methylidene-6-prop-2-enylidenecyclohexa-1,3-dien-1-yl]methyl]-4-[3-(2-methylpropyl)phenyl]benzene;methanol;propane
CID 142932946
2-[2-(1-iodoethenyl)-5-[3-(2-methylpropyl)phenyl]phenyl]-1-methyl-2H-pyridine
CID 145000915
2-methoxy-6-[3-(2-methylpropyl)phenyl]naphthalene
CID 173309797
2-methyl-5-[3-(2-methylpropyl)phenyl]aniline
CID 116545232
3-[3-(2-methylpropyl)phenyl]thiophene
CID 20771915
2-hydroxy-5-[3-(2-methylpropyl)phenyl]benzonitrile
CID 116546535
ethane;1-fluoro-3-(2-methylpropyl)benzene
CID 142079473
4,5-dimethyl-3-[3-(2-methylpropyl)phenyl]-1H-pyridazin-6-one
CID 106522097
formamide;1-methyl-3-(2-methylpropyl)benzene
CID 170631476
[2-formyl-5-[4-(2-methylpropyl)phenyl]phenyl]boronic acid
CID 170616315
ethane;1-ethyl-3-(2-methylpropyl)benzene;molecular hydrogen
CID 142978471

Frequently Asked Questions

What is the IUPAC name of 2-[2-ethenyl-5-[3-(2-methylpropyl)phenyl]phenyl]-1,2-dihydropyridine?
The IUPAC name of 2-[2-ethenyl-5-[3-(2-methylpropyl)phenyl]phenyl]-1,2-dihydropyridine (CID 145295491) is 2-[2-ethenyl-5-[3-(2-methylpropyl)phenyl]phenyl]-1,2-dihydropyridine.
What is the SMILES notation for 2-[2-ethenyl-5-[3-(2-methylpropyl)phenyl]phenyl]-1,2-dihydropyridine?
The canonical SMILES for 2-[2-ethenyl-5-[3-(2-methylpropyl)phenyl]phenyl]-1,2-dihydropyridine is C=Cc1ccc(-c2cccc(CC(C)C)c2)cc1C1C=CC=CN1.
What is the InChIKey of 2-[2-ethenyl-5-[3-(2-methylpropyl)phenyl]phenyl]-1,2-dihydropyridine?
The InChIKey is BYFMVSNWHCGBLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N/c1-4-19-11-12-21(16-22(19)23-10-5-6-13-24-23)20-9-7-8-18(15-20)14-17(2)3/h4-13,15-17,23-24H,1,14H2,2-3H3.
What are the key properties of 2-[2-ethenyl-5-[3-(2-methylpropyl)phenyl]phenyl]-1,2-dihydropyridine?
2-[2-ethenyl-5-[3-(2-methylpropyl)phenyl]phenyl]-1,2-dihydropyridine has a molecular weight of 315.46 g/mol, XLogP of 5.91, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-ethenyl-5-[3-(2-methylpropyl)phenyl]phenyl]-1,2-dihydropyridine is sourced from PubChem (CID 145295491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).