4-ethenyl-1-[[3-[(4-ethenylpyridin-1-ium-1-yl)methyl]-2,4,6-trimethylphenyl]methyl]pyridin-1-ium

C25H28N2+2 — CID 165392151

IUPAC4-ethenyl-1-[[3-[(4-ethenylpyridin-1-ium-1-yl)methyl]-2,4,6-trimethylphenyl]methyl]pyridin-1-ium
SMILESC=Cc1cc[n+](Cc2c(C)cc(C)c(C[n+]3ccc(C=C)cc3)c2C)cc1
InChIInChI=1S/C25H28N2/c1-6-22-8-12-26(13-9-22)17-24-19(3)16-20(4)25(21(24)5)18-27-14-10-23(7-2)11-15-27/h6-16H,1-2,17-18H2,3-5H3/q+2
InChIKeyLWEOTGVPYOBTGT-UHFFFAOYSA-N
MW356.51 g/mol
LogP4.57
Rot. Bonds6

About 4-ethenyl-1-[[3-[(4-ethenylpyridin-1-ium-1-yl)methyl]-2,4,6-trimethylphenyl]methyl]pyridin-1-ium

4-ethenyl-1-[[3-[(4-ethenylpyridin-1-ium-1-yl)methyl]-2,4,6-trimethylphenyl]methyl]pyridin-1-ium (PubChem CID 165392151) has the molecular formula C25H28N2+2 and a molecular weight of 356.51 g/mol. Its IUPAC name is 4-ethenyl-1-[[3-[(4-ethenylpyridin-1-ium-1-yl)methyl]-2,4,6-trimethylphenyl]methyl]pyridin-1-ium.

Molecular Properties

Compound Name4-ethenyl-1-[[3-[(4-ethenylpyridin-1-ium-1-yl)methyl]-2,4,6-trimethylphenyl]methyl]pyridin-1-ium
PubChem CID165392151
Molecular FormulaC25H28N2+2
Molecular Weight356.51 g/mol
Exact Mass356.22
IUPAC Name4-ethenyl-1-[[3-[(4-ethenylpyridin-1-ium-1-yl)methyl]-2,4,6-trimethylphenyl]methyl]pyridin-1-ium
SMILESC=Cc1cc[n+](Cc2c(C)cc(C)c(C[n+]3ccc(C=C)cc3)c2C)cc1
InChIInChI=1S/C25H28N2/c1-6-22-8-12-26(13-9-22)17-24-19(3)16-20(4)25(21(24)5)18-27-14-10-23(7-2)11-15-27/h6-16H,1-2,17-18H2,3-5H3/q+2
InChIKeyLWEOTGVPYOBTGT-UHFFFAOYSA-N
XLogP4.57
TPSA7.76 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.51
LogP ≤ 54.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-ethenyl-1-[[3-[(4-ethenylpyridin-1-ium-1-yl)methyl]-2,4,6-trimethylphenyl]methyl]pyridin-1-ium?
The IUPAC name of 4-ethenyl-1-[[3-[(4-ethenylpyridin-1-ium-1-yl)methyl]-2,4,6-trimethylphenyl]methyl]pyridin-1-ium (CID 165392151) is 4-ethenyl-1-[[3-[(4-ethenylpyridin-1-ium-1-yl)methyl]-2,4,6-trimethylphenyl]methyl]pyridin-1-ium.
What is the SMILES notation for 4-ethenyl-1-[[3-[(4-ethenylpyridin-1-ium-1-yl)methyl]-2,4,6-trimethylphenyl]methyl]pyridin-1-ium?
The canonical SMILES for 4-ethenyl-1-[[3-[(4-ethenylpyridin-1-ium-1-yl)methyl]-2,4,6-trimethylphenyl]methyl]pyridin-1-ium is C=Cc1cc[n+](Cc2c(C)cc(C)c(C[n+]3ccc(C=C)cc3)c2C)cc1.
What is the InChIKey of 4-ethenyl-1-[[3-[(4-ethenylpyridin-1-ium-1-yl)methyl]-2,4,6-trimethylphenyl]methyl]pyridin-1-ium?
The InChIKey is LWEOTGVPYOBTGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N2/c1-6-22-8-12-26(13-9-22)17-24-19(3)16-20(4)25(21(24)5)18-27-14-10-23(7-2)11-15-27/h6-16H,1-2,17-18H2,3-5H3/q+2.
What are the key properties of 4-ethenyl-1-[[3-[(4-ethenylpyridin-1-ium-1-yl)methyl]-2,4,6-trimethylphenyl]methyl]pyridin-1-ium?
4-ethenyl-1-[[3-[(4-ethenylpyridin-1-ium-1-yl)methyl]-2,4,6-trimethylphenyl]methyl]pyridin-1-ium has a molecular weight of 356.51 g/mol, XLogP of 4.57, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethenyl-1-[[3-[(4-ethenylpyridin-1-ium-1-yl)methyl]-2,4,6-trimethylphenyl]methyl]pyridin-1-ium is sourced from PubChem (CID 165392151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).