2-[2-[1-[2-(2,3-dihydropyridin-2-yl)phenyl]ethenyl]phenyl]-4-methyl-5-phenylpyridine

C31H26N2 — CID 90215692

IUPAC2-[2-[1-[2-(2,3-dihydropyridin-2-yl)phenyl]ethenyl]phenyl]-4-methyl-5-phenylpyridine
SMILESC=C(c1ccccc1-c1cc(C)c(-c2ccccc2)cn1)c1ccccc1C1CC=CC=N1
InChIInChI=1S/C31H26N2/c1-22-20-31(33-21-29(22)24-12-4-3-5-13-24)28-17-9-7-15-26(28)23(2)25-14-6-8-16-27(25)30-18-10-11-19-32-30/h3-17,19-21,30H,2,18H2,1H3
InChIKeyZHMKFEHLOWCVEK-UHFFFAOYSA-N
MW426.56 g/mol
LogP7.86
Rot. Bonds5

About 2-[2-[1-[2-(2,3-dihydropyridin-2-yl)phenyl]ethenyl]phenyl]-4-methyl-5-phenylpyridine

2-[2-[1-[2-(2,3-dihydropyridin-2-yl)phenyl]ethenyl]phenyl]-4-methyl-5-phenylpyridine (PubChem CID 90215692) has the molecular formula C31H26N2 and a molecular weight of 426.56 g/mol. Its IUPAC name is 2-[2-[1-[2-(2,3-dihydropyridin-2-yl)phenyl]ethenyl]phenyl]-4-methyl-5-phenylpyridine.

Molecular Properties

Compound Name2-[2-[1-[2-(2,3-dihydropyridin-2-yl)phenyl]ethenyl]phenyl]-4-methyl-5-phenylpyridine
PubChem CID90215692
Molecular FormulaC31H26N2
Molecular Weight426.56 g/mol
Exact Mass426.21
IUPAC Name2-[2-[1-[2-(2,3-dihydropyridin-2-yl)phenyl]ethenyl]phenyl]-4-methyl-5-phenylpyridine
SMILESC=C(c1ccccc1-c1cc(C)c(-c2ccccc2)cn1)c1ccccc1C1CC=CC=N1
InChIInChI=1S/C31H26N2/c1-22-20-31(33-21-29(22)24-12-4-3-5-13-24)28-17-9-7-15-26(28)23(2)25-14-6-8-16-27(25)30-18-10-11-19-32-30/h3-17,19-21,30H,2,18H2,1H3
InChIKeyZHMKFEHLOWCVEK-UHFFFAOYSA-N
XLogP7.86
TPSA25.25 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500426.56
LogP ≤ 57.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2-[2-[1-[2-(2,3-dihydropyridin-2-yl)phenyl]ethenyl]phenyl]-4-methyl-5-phenylpyridine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[2-[1-[2-(2,3-dihydropyridin-2-yl)phenyl]ethenyl]phenyl]-4-methyl-5-phenylpyridine?
The IUPAC name of 2-[2-[1-[2-(2,3-dihydropyridin-2-yl)phenyl]ethenyl]phenyl]-4-methyl-5-phenylpyridine (CID 90215692) is 2-[2-[1-[2-(2,3-dihydropyridin-2-yl)phenyl]ethenyl]phenyl]-4-methyl-5-phenylpyridine.
What is the SMILES notation for 2-[2-[1-[2-(2,3-dihydropyridin-2-yl)phenyl]ethenyl]phenyl]-4-methyl-5-phenylpyridine?
The canonical SMILES for 2-[2-[1-[2-(2,3-dihydropyridin-2-yl)phenyl]ethenyl]phenyl]-4-methyl-5-phenylpyridine is C=C(c1ccccc1-c1cc(C)c(-c2ccccc2)cn1)c1ccccc1C1CC=CC=N1.
What is the InChIKey of 2-[2-[1-[2-(2,3-dihydropyridin-2-yl)phenyl]ethenyl]phenyl]-4-methyl-5-phenylpyridine?
The InChIKey is ZHMKFEHLOWCVEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H26N2/c1-22-20-31(33-21-29(22)24-12-4-3-5-13-24)28-17-9-7-15-26(28)23(2)25-14-6-8-16-27(25)30-18-10-11-19-32-30/h3-17,19-21,30H,2,18H2,1H3.
What are the key properties of 2-[2-[1-[2-(2,3-dihydropyridin-2-yl)phenyl]ethenyl]phenyl]-4-methyl-5-phenylpyridine?
2-[2-[1-[2-(2,3-dihydropyridin-2-yl)phenyl]ethenyl]phenyl]-4-methyl-5-phenylpyridine has a molecular weight of 426.56 g/mol, XLogP of 7.86, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[1-[2-(2,3-dihydropyridin-2-yl)phenyl]ethenyl]phenyl]-4-methyl-5-phenylpyridine is sourced from PubChem (CID 90215692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).