4-phenyl-1-[2-(4-phenylpyridin-1-ium-1-yl)ethyl]pyridin-1-ium

C24H22N2+2 — CID 3650539

IUPAC4-phenyl-1-[2-(4-phenylpyridin-1-ium-1-yl)ethyl]pyridin-1-ium
SMILESc1ccc(-c2cc[n+](CC[n+]3ccc(-c4ccccc4)cc3)cc2)cc1
InChIInChI=1S/C24H22N2/c1-3-7-21(8-4-1)23-11-15-25(16-12-23)19-20-26-17-13-24(14-18-26)22-9-5-2-6-10-22/h1-18H,19-20H2/q+2
InChIKeyFUPQEPWDSAIUQH-UHFFFAOYSA-N
MW338.45 g/mol
LogP4.30
Rot. Bonds5

About 4-phenyl-1-[2-(4-phenylpyridin-1-ium-1-yl)ethyl]pyridin-1-ium

4-phenyl-1-[2-(4-phenylpyridin-1-ium-1-yl)ethyl]pyridin-1-ium (PubChem CID 3650539) has the molecular formula C24H22N2+2 and a molecular weight of 338.45 g/mol. Its IUPAC name is 4-phenyl-1-[2-(4-phenylpyridin-1-ium-1-yl)ethyl]pyridin-1-ium.

Molecular Properties

Compound Name4-phenyl-1-[2-(4-phenylpyridin-1-ium-1-yl)ethyl]pyridin-1-ium
PubChem CID3650539
Molecular FormulaC24H22N2+2
Molecular Weight338.45 g/mol
Exact Mass338.18
IUPAC Name4-phenyl-1-[2-(4-phenylpyridin-1-ium-1-yl)ethyl]pyridin-1-ium
SMILESc1ccc(-c2cc[n+](CC[n+]3ccc(-c4ccccc4)cc3)cc2)cc1
InChIInChI=1S/C24H22N2/c1-3-7-21(8-4-1)23-11-15-25(16-12-23)19-20-26-17-13-24(14-18-26)22-9-5-2-6-10-22/h1-18H,19-20H2/q+2
InChIKeyFUPQEPWDSAIUQH-UHFFFAOYSA-N
XLogP4.30
TPSA7.76 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.45
LogP ≤ 54.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 4-phenyl-1-[2-(4-phenylpyridin-1-ium-1-yl)ethyl]pyridin-1-ium 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 4-phenyl-1-[2-(4-phenylpyridin-1-ium-1-yl)ethyl]pyridin-1-ium?
The IUPAC name of 4-phenyl-1-[2-(4-phenylpyridin-1-ium-1-yl)ethyl]pyridin-1-ium (CID 3650539) is 4-phenyl-1-[2-(4-phenylpyridin-1-ium-1-yl)ethyl]pyridin-1-ium.
What is the SMILES notation for 4-phenyl-1-[2-(4-phenylpyridin-1-ium-1-yl)ethyl]pyridin-1-ium?
The canonical SMILES for 4-phenyl-1-[2-(4-phenylpyridin-1-ium-1-yl)ethyl]pyridin-1-ium is c1ccc(-c2cc[n+](CC[n+]3ccc(-c4ccccc4)cc3)cc2)cc1.
What is the InChIKey of 4-phenyl-1-[2-(4-phenylpyridin-1-ium-1-yl)ethyl]pyridin-1-ium?
The InChIKey is FUPQEPWDSAIUQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N2/c1-3-7-21(8-4-1)23-11-15-25(16-12-23)19-20-26-17-13-24(14-18-26)22-9-5-2-6-10-22/h1-18H,19-20H2/q+2.
What are the key properties of 4-phenyl-1-[2-(4-phenylpyridin-1-ium-1-yl)ethyl]pyridin-1-ium?
4-phenyl-1-[2-(4-phenylpyridin-1-ium-1-yl)ethyl]pyridin-1-ium has a molecular weight of 338.45 g/mol, XLogP of 4.30, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenyl-1-[2-(4-phenylpyridin-1-ium-1-yl)ethyl]pyridin-1-ium is sourced from PubChem (CID 3650539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).