1-(1,2,2-triphenylethenyl)pyridin-1-ium

C25H20N+ — CID 129243431

IUPAC1-(1,2,2-triphenylethenyl)pyridin-1-ium
SMILESc1ccc(C(=C(c2ccccc2)[n+]2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C25H20N/c1-5-13-21(14-6-1)24(22-15-7-2-8-16-22)25(23-17-9-3-10-18-23)26-19-11-4-12-20-26/h1-20H/q+1
InChIKeyOXWVMOYMGHZMHE-UHFFFAOYSA-N
MW334.44 g/mol
LogP5.44
Rot. Bonds4

About 1-(1,2,2-triphenylethenyl)pyridin-1-ium

1-(1,2,2-triphenylethenyl)pyridin-1-ium (PubChem CID 129243431) has the molecular formula C25H20N+ and a molecular weight of 334.44 g/mol. Its IUPAC name is 1-(1,2,2-triphenylethenyl)pyridin-1-ium.

Molecular Properties

Compound Name1-(1,2,2-triphenylethenyl)pyridin-1-ium
PubChem CID129243431
Molecular FormulaC25H20N+
Molecular Weight334.44 g/mol
Exact Mass334.16
IUPAC Name1-(1,2,2-triphenylethenyl)pyridin-1-ium
SMILESc1ccc(C(=C(c2ccccc2)[n+]2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C25H20N/c1-5-13-21(14-6-1)24(22-15-7-2-8-16-22)25(23-17-9-3-10-18-23)26-19-11-4-12-20-26/h1-20H/q+1
InChIKeyOXWVMOYMGHZMHE-UHFFFAOYSA-N
XLogP5.44
TPSA3.88 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500334.44
LogP ≤ 55.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(1,2,2-triphenylethenyl)pyridin-1-ium?
The IUPAC name of 1-(1,2,2-triphenylethenyl)pyridin-1-ium (CID 129243431) is 1-(1,2,2-triphenylethenyl)pyridin-1-ium.
What is the SMILES notation for 1-(1,2,2-triphenylethenyl)pyridin-1-ium?
The canonical SMILES for 1-(1,2,2-triphenylethenyl)pyridin-1-ium is c1ccc(C(=C(c2ccccc2)[n+]2ccccc2)c2ccccc2)cc1.
What is the InChIKey of 1-(1,2,2-triphenylethenyl)pyridin-1-ium?
The InChIKey is OXWVMOYMGHZMHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20N/c1-5-13-21(14-6-1)24(22-15-7-2-8-16-22)25(23-17-9-3-10-18-23)26-19-11-4-12-20-26/h1-20H/q+1.
What are the key properties of 1-(1,2,2-triphenylethenyl)pyridin-1-ium?
1-(1,2,2-triphenylethenyl)pyridin-1-ium has a molecular weight of 334.44 g/mol, XLogP of 5.44, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,2,2-triphenylethenyl)pyridin-1-ium is sourced from PubChem (CID 129243431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).