2,4-diphenyl-1-prop-2-enyl-6-pyridin-2-ylpyridin-1-ium

C25H21N2+ — CID 3756688

IUPAC2,4-diphenyl-1-prop-2-enyl-6-pyridin-2-ylpyridin-1-ium
SMILESC=CC[n+]1c(-c2ccccc2)cc(-c2ccccc2)cc1-c1ccccn1
InChIInChI=1S/C25H21N2/c1-2-17-27-24(21-13-7-4-8-14-21)18-22(20-11-5-3-6-12-20)19-25(27)23-15-9-10-16-26-23/h2-16,18-19H,1,17H2/q+1
InChIKeyLWTKBIUGYOJXBM-UHFFFAOYSA-N
MW349.46 g/mol
LogP5.56
Rot. Bonds5

About 2,4-diphenyl-1-prop-2-enyl-6-pyridin-2-ylpyridin-1-ium

2,4-diphenyl-1-prop-2-enyl-6-pyridin-2-ylpyridin-1-ium (PubChem CID 3756688) has the molecular formula C25H21N2+ and a molecular weight of 349.46 g/mol. Its IUPAC name is 2,4-diphenyl-1-prop-2-enyl-6-pyridin-2-ylpyridin-1-ium.

Molecular Properties

Compound Name2,4-diphenyl-1-prop-2-enyl-6-pyridin-2-ylpyridin-1-ium
PubChem CID3756688
Molecular FormulaC25H21N2+
Molecular Weight349.46 g/mol
Exact Mass349.17
IUPAC Name2,4-diphenyl-1-prop-2-enyl-6-pyridin-2-ylpyridin-1-ium
SMILESC=CC[n+]1c(-c2ccccc2)cc(-c2ccccc2)cc1-c1ccccn1
InChIInChI=1S/C25H21N2/c1-2-17-27-24(21-13-7-4-8-14-21)18-22(20-11-5-3-6-12-20)19-25(27)23-15-9-10-16-26-23/h2-16,18-19H,1,17H2/q+1
InChIKeyLWTKBIUGYOJXBM-UHFFFAOYSA-N
XLogP5.56
TPSA16.77 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500349.46
LogP ≤ 55.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-benzyl-2,4-diphenyl-6-pyridin-2-ylpyridin-1-ium tetrafluoroborate
CID 13016807
1,2,4-triphenyl-6-pyridin-2-ylpyridin-1-ium tetrafluoroborate
CID 13016817
4-phenyl-2-[6-[6-(4-phenyl-6-pyridin-2-yl-2-pyridinyl)-2-pyridinyl]-2-pyridinyl]-6-pyridin-2-ylpyridine
CID 15788654
2-[3-[4-[4-[3-[3-[3-[3-(3-phenylphenyl)phenyl]phenyl]phenyl]phenyl]phenyl]phenyl]phenyl]pyridine
CID 171461302
2-(3,5-diphenylphenyl)-4-[3-phenyl-5-(3-prop-2-enylphenyl)phenyl]-6-pyridin-2-yl-1,3,5-triazine
CID 139518038
4-(2,6-diphenyl-4-pyridin-4-ylpyridin-1-ium-1-yl)-2,6-dipyridin-2-ylphenol
CID 135409880
hydrazine;2-phenylpyridine
CID 158673997
2-phenyl-N-prop-2-enyl-6-pyridin-2-ylpyrimidin-4-amine
CID 4533537
2-(4-phenyl-2-pyridin-2-ylphenyl)pyridine
CID 142417656
2-methyl-1,4,6-triphenylpyridin-1-ium
CID 3702073
4,6-diphenyl-2-[3-(4-phenylphenyl)-5-(4-pyridin-2-ylphenyl)phenyl]pyrimidine
CID 122549117
4-phenyl-2-[6-(4-phenyl-6-pyridin-2-yl-2-pyridinyl)-2-pyridinyl]-6-pyridin-2-ylpyridine;2-pyridin-2-yl-6-[4-(6-pyridin-2-yl-2-pyridinyl)phenyl]pyridine
CID 158535696

Frequently Asked Questions

What is the IUPAC name of 2,4-diphenyl-1-prop-2-enyl-6-pyridin-2-ylpyridin-1-ium?
The IUPAC name of 2,4-diphenyl-1-prop-2-enyl-6-pyridin-2-ylpyridin-1-ium (CID 3756688) is 2,4-diphenyl-1-prop-2-enyl-6-pyridin-2-ylpyridin-1-ium.
What is the SMILES notation for 2,4-diphenyl-1-prop-2-enyl-6-pyridin-2-ylpyridin-1-ium?
The canonical SMILES for 2,4-diphenyl-1-prop-2-enyl-6-pyridin-2-ylpyridin-1-ium is C=CC[n+]1c(-c2ccccc2)cc(-c2ccccc2)cc1-c1ccccn1.
What is the InChIKey of 2,4-diphenyl-1-prop-2-enyl-6-pyridin-2-ylpyridin-1-ium?
The InChIKey is LWTKBIUGYOJXBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21N2/c1-2-17-27-24(21-13-7-4-8-14-21)18-22(20-11-5-3-6-12-20)19-25(27)23-15-9-10-16-26-23/h2-16,18-19H,1,17H2/q+1.
What are the key properties of 2,4-diphenyl-1-prop-2-enyl-6-pyridin-2-ylpyridin-1-ium?
2,4-diphenyl-1-prop-2-enyl-6-pyridin-2-ylpyridin-1-ium has a molecular weight of 349.46 g/mol, XLogP of 5.56, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-diphenyl-1-prop-2-enyl-6-pyridin-2-ylpyridin-1-ium is sourced from PubChem (CID 3756688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).