2-[(E)-1,2-bis(4-methylphenyl)ethenyl]-6-methylpyridine

C22H21N — CID 163217179

IUPAC2-[(E)-1,2-bis(4-methylphenyl)ethenyl]-6-methylpyridine
SMILESCc1ccc(/C=C(\c2ccc(C)cc2)c2cccc(C)n2)cc1
InChIInChI=1S/C22H21N/c1-16-7-11-19(12-8-16)15-21(20-13-9-17(2)10-14-20)22-6-4-5-18(3)23-22/h4-15H,1-3H3/b21-15+
InChIKeyMZLUWYBMLIUIDF-RCCKNPSSSA-N
MW299.42 g/mol
LogP5.60
Rot. Bonds3

About 2-[(E)-1,2-bis(4-methylphenyl)ethenyl]-6-methylpyridine

2-[(E)-1,2-bis(4-methylphenyl)ethenyl]-6-methylpyridine (PubChem CID 163217179) has the molecular formula C22H21N and a molecular weight of 299.42 g/mol. Its IUPAC name is 2-[(E)-1,2-bis(4-methylphenyl)ethenyl]-6-methylpyridine.

Molecular Properties

Compound Name2-[(E)-1,2-bis(4-methylphenyl)ethenyl]-6-methylpyridine
PubChem CID163217179
Molecular FormulaC22H21N
Molecular Weight299.42 g/mol
Exact Mass299.17
IUPAC Name2-[(E)-1,2-bis(4-methylphenyl)ethenyl]-6-methylpyridine
SMILESCc1ccc(/C=C(\c2ccc(C)cc2)c2cccc(C)n2)cc1
InChIInChI=1S/C22H21N/c1-16-7-11-19(12-8-16)15-21(20-13-9-17(2)10-14-20)22-6-4-5-18(3)23-22/h4-15H,1-3H3/b21-15+
InChIKeyMZLUWYBMLIUIDF-RCCKNPSSSA-N
XLogP5.60
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500299.42
LogP ≤ 55.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'stilbene', 'substructure': 'N/A'}

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Related Compounds

2-[1,2-bis(4-bromophenyl)ethenyl]-6-methylpyridine
CID 175208899
N-[4-[2,2-bis(4-methylphenyl)ethenyl]phenyl]-4-methyl-N-(4-methylphenyl)aniline
CID 22899856
(Z)-3-(6-bromo-2-pyridinyl)-N,N-dimethyl-3-(4-methylphenyl)prop-2-en-1-amine
CID 13191801
2-[1,2-bis(4-methoxyphenyl)ethenyl]quinoline
CID 175109611
[4-[2,2-bis(4-methylphenyl)ethenyl]phenyl]boronic acid
CID 141350757
4-methyl-N-(4-methylphenyl)-N-[4-[(E)-2-(4-methylphenyl)-1-phenylethenyl]phenyl]aniline
CID 58841601
1,3-bis[(Z)-2-[4-[2,2-bis(4-methylphenyl)ethenyl]phenyl]ethenyl]naphthalene
CID 147683852
6-methylpyridine-2-carbonyl iodide
CID 154552361
tetrakis[4-[2-[4-(4-methylphenyl)phenyl]-1-phenylethenyl]phenyl]germane
CID 154407148
4-[(E)-2-(4-methoxyphenyl)-2-(4-methylphenyl)ethenyl]aniline
CID 122467021
2-methyl-6-[(E)-2-(4-methylphenyl)ethenyl]pyridine
CID 18763193
1-[(Z)-2-[3,5-bis[2,2-bis(4-methylphenyl)ethenyl]phenyl]ethenyl]-3,5-bis[2,2-bis(4-methylphenyl)ethenyl]benzene
CID 163829101

Frequently Asked Questions

What is the IUPAC name of 2-[(E)-1,2-bis(4-methylphenyl)ethenyl]-6-methylpyridine?
The IUPAC name of 2-[(E)-1,2-bis(4-methylphenyl)ethenyl]-6-methylpyridine (CID 163217179) is 2-[(E)-1,2-bis(4-methylphenyl)ethenyl]-6-methylpyridine.
What is the SMILES notation for 2-[(E)-1,2-bis(4-methylphenyl)ethenyl]-6-methylpyridine?
The canonical SMILES for 2-[(E)-1,2-bis(4-methylphenyl)ethenyl]-6-methylpyridine is Cc1ccc(/C=C(\c2ccc(C)cc2)c2cccc(C)n2)cc1.
What is the InChIKey of 2-[(E)-1,2-bis(4-methylphenyl)ethenyl]-6-methylpyridine?
The InChIKey is MZLUWYBMLIUIDF-RCCKNPSSSA-N. The full InChI is InChI=1S/C22H21N/c1-16-7-11-19(12-8-16)15-21(20-13-9-17(2)10-14-20)22-6-4-5-18(3)23-22/h4-15H,1-3H3/b21-15+.
What are the key properties of 2-[(E)-1,2-bis(4-methylphenyl)ethenyl]-6-methylpyridine?
2-[(E)-1,2-bis(4-methylphenyl)ethenyl]-6-methylpyridine has a molecular weight of 299.42 g/mol, XLogP of 5.60, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-1,2-bis(4-methylphenyl)ethenyl]-6-methylpyridine is sourced from PubChem (CID 163217179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).