1-(1,3-diphenylpenta-1,4-dien-2-yl)pyridin-1-ium

C22H20N+ — CID 69405902

IUPAC1-(1,3-diphenylpenta-1,4-dien-2-yl)pyridin-1-ium
SMILESC=CC(C(=Cc1ccccc1)[n+]1ccccc1)c1ccccc1
InChIInChI=1S/C22H20N/c1-2-21(20-14-8-4-9-15-20)22(23-16-10-5-11-17-23)18-19-12-6-3-7-13-19/h2-18,21H,1H2/q+1
InChIKeyAVIWIFAYOGNFLY-UHFFFAOYSA-N
MW298.41 g/mol
LogP4.94
Rot. Bonds5

About 1-(1,3-diphenylpenta-1,4-dien-2-yl)pyridin-1-ium

1-(1,3-diphenylpenta-1,4-dien-2-yl)pyridin-1-ium (PubChem CID 69405902) has the molecular formula C22H20N+ and a molecular weight of 298.41 g/mol. Its IUPAC name is 1-(1,3-diphenylpenta-1,4-dien-2-yl)pyridin-1-ium.

Molecular Properties

Compound Name1-(1,3-diphenylpenta-1,4-dien-2-yl)pyridin-1-ium
PubChem CID69405902
Molecular FormulaC22H20N+
Molecular Weight298.41 g/mol
Exact Mass298.16
IUPAC Name1-(1,3-diphenylpenta-1,4-dien-2-yl)pyridin-1-ium
SMILESC=CC(C(=Cc1ccccc1)[n+]1ccccc1)c1ccccc1
InChIInChI=1S/C22H20N/c1-2-21(20-14-8-4-9-15-20)22(23-16-10-5-11-17-23)18-19-12-6-3-7-13-19/h2-18,21H,1H2/q+1
InChIKeyAVIWIFAYOGNFLY-UHFFFAOYSA-N
XLogP4.94
TPSA3.88 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.41
LogP ≤ 54.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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

1,1,2-triphenylpenta-1,4-dien-3-ylbenzene
CID 173400306
2-methylidene-3-phenylpent-4-enoic acid
CID 10352456
[(1R,2S)-1-ethenyl-2-phenylbut-3-enyl]benzene
CID 12573330
1-(1-phenylprop-2-enyl)pyridin-1-ium chloride
CID 23290371
N,N-dimethyl-2-phenyl-1-pyridin-1-ium-1-ylethenamine
CID 54093643
1,1-diphenylbut-3-en-2-ol
CID 88826241
N,N-dimethyl-2-phenyl-1-pyridin-1-ium-1-ylethenamine chloride
CID 67760286
ethane;methyl 2-phenylbut-3-enoate
CID 177056138
benzene;1-phenylprop-2-en-1-ol
CID 174884403
1-phenylbuta-1,3-dien-2-ol
CID 87904786
penta-1,4-dien-3-ylbenzene
CID 15879286
ethenol;styrene
CID 66670047

Frequently Asked Questions

What is the IUPAC name of 1-(1,3-diphenylpenta-1,4-dien-2-yl)pyridin-1-ium?
The IUPAC name of 1-(1,3-diphenylpenta-1,4-dien-2-yl)pyridin-1-ium (CID 69405902) is 1-(1,3-diphenylpenta-1,4-dien-2-yl)pyridin-1-ium.
What is the SMILES notation for 1-(1,3-diphenylpenta-1,4-dien-2-yl)pyridin-1-ium?
The canonical SMILES for 1-(1,3-diphenylpenta-1,4-dien-2-yl)pyridin-1-ium is C=CC(C(=Cc1ccccc1)[n+]1ccccc1)c1ccccc1.
What is the InChIKey of 1-(1,3-diphenylpenta-1,4-dien-2-yl)pyridin-1-ium?
The InChIKey is AVIWIFAYOGNFLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N/c1-2-21(20-14-8-4-9-15-20)22(23-16-10-5-11-17-23)18-19-12-6-3-7-13-19/h2-18,21H,1H2/q+1.
What are the key properties of 1-(1,3-diphenylpenta-1,4-dien-2-yl)pyridin-1-ium?
1-(1,3-diphenylpenta-1,4-dien-2-yl)pyridin-1-ium has a molecular weight of 298.41 g/mol, XLogP of 4.94, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,3-diphenylpenta-1,4-dien-2-yl)pyridin-1-ium is sourced from PubChem (CID 69405902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).