1,4-bis[2-(3-ethenylphenyl)ethyl]-1,4-dimethylpyrazine-1,4-diium

C26H32N2+2 — CID 135291635

IUPAC1,4-bis[2-(3-ethenylphenyl)ethyl]-1,4-dimethylpyrazine-1,4-diium
SMILESC=Cc1cccc(CC[N+]2(C)C=C[N+](C)(CCc3cccc(C=C)c3)C=C2)c1
InChIInChI=1S/C26H32N2/c1-5-23-9-7-11-25(21-23)13-15-27(3)17-19-28(4,20-18-27)16-14-26-12-8-10-24(6-2)22-26/h5-12,17-22H,1-2,13-16H2,3-4H3/q+2
InChIKeyUEDHFASQPBWSPK-UHFFFAOYSA-N
MW372.56 g/mol
LogP5.61
Rot. Bonds8

About 1,4-bis[2-(3-ethenylphenyl)ethyl]-1,4-dimethylpyrazine-1,4-diium

1,4-bis[2-(3-ethenylphenyl)ethyl]-1,4-dimethylpyrazine-1,4-diium (PubChem CID 135291635) has the molecular formula C26H32N2+2 and a molecular weight of 372.56 g/mol. Its IUPAC name is 1,4-bis[2-(3-ethenylphenyl)ethyl]-1,4-dimethylpyrazine-1,4-diium.

Molecular Properties

Compound Name1,4-bis[2-(3-ethenylphenyl)ethyl]-1,4-dimethylpyrazine-1,4-diium
PubChem CID135291635
Molecular FormulaC26H32N2+2
Molecular Weight372.56 g/mol
Exact Mass372.26
IUPAC Name1,4-bis[2-(3-ethenylphenyl)ethyl]-1,4-dimethylpyrazine-1,4-diium
SMILESC=Cc1cccc(CC[N+]2(C)C=C[N+](C)(CCc3cccc(C=C)c3)C=C2)c1
InChIInChI=1S/C26H32N2/c1-5-23-9-7-11-25(21-23)13-15-27(3)17-19-28(4,20-18-27)16-14-26-12-8-10-24(6-2)22-26/h5-12,17-22H,1-2,13-16H2,3-4H3/q+2
InChIKeyUEDHFASQPBWSPK-UHFFFAOYSA-N
XLogP5.61
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500372.56
LogP ≤ 55.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

Analyze 1,4-bis[2-(3-ethenylphenyl)ethyl]-1,4-dimethylpyrazine-1,4-diium 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 1,4-bis[2-(3-ethenylphenyl)ethyl]-1,4-dimethylpyrazine-1,4-diium?
The IUPAC name of 1,4-bis[2-(3-ethenylphenyl)ethyl]-1,4-dimethylpyrazine-1,4-diium (CID 135291635) is 1,4-bis[2-(3-ethenylphenyl)ethyl]-1,4-dimethylpyrazine-1,4-diium.
What is the SMILES notation for 1,4-bis[2-(3-ethenylphenyl)ethyl]-1,4-dimethylpyrazine-1,4-diium?
The canonical SMILES for 1,4-bis[2-(3-ethenylphenyl)ethyl]-1,4-dimethylpyrazine-1,4-diium is C=Cc1cccc(CC[N+]2(C)C=C[N+](C)(CCc3cccc(C=C)c3)C=C2)c1.
What is the InChIKey of 1,4-bis[2-(3-ethenylphenyl)ethyl]-1,4-dimethylpyrazine-1,4-diium?
The InChIKey is UEDHFASQPBWSPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32N2/c1-5-23-9-7-11-25(21-23)13-15-27(3)17-19-28(4,20-18-27)16-14-26-12-8-10-24(6-2)22-26/h5-12,17-22H,1-2,13-16H2,3-4H3/q+2.
What are the key properties of 1,4-bis[2-(3-ethenylphenyl)ethyl]-1,4-dimethylpyrazine-1,4-diium?
1,4-bis[2-(3-ethenylphenyl)ethyl]-1,4-dimethylpyrazine-1,4-diium has a molecular weight of 372.56 g/mol, XLogP of 5.61, 8 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-bis[2-(3-ethenylphenyl)ethyl]-1,4-dimethylpyrazine-1,4-diium is sourced from PubChem (CID 135291635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).