1-[(2Z,4Z)-3-methyl-5-phenylpenta-2,4-dienyl]-4-phenylpyridin-1-ium

C23H22N+ — CID 23242474

IUPAC1-[(2Z,4Z)-3-methyl-5-phenylpenta-2,4-dienyl]-4-phenylpyridin-1-ium
SMILESCC(/C=C\c1ccccc1)=C/C[n+]1ccc(-c2ccccc2)cc1
InChIInChI=1S/C23H22N/c1-20(12-13-21-8-4-2-5-9-21)14-17-24-18-15-23(16-19-24)22-10-6-3-7-11-22/h2-16,18-19H,17H2,1H3/q+1/b13-12-,20-14-
InChIKeyVGTHDWICVGQISZ-SYWUKSEVSA-N
MW312.44 g/mol
LogP5.30
Rot. Bonds5

About 1-[(2Z,4Z)-3-methyl-5-phenylpenta-2,4-dienyl]-4-phenylpyridin-1-ium

1-[(2Z,4Z)-3-methyl-5-phenylpenta-2,4-dienyl]-4-phenylpyridin-1-ium (PubChem CID 23242474) has the molecular formula C23H22N+ and a molecular weight of 312.44 g/mol. Its IUPAC name is 1-[(2Z,4Z)-3-methyl-5-phenylpenta-2,4-dienyl]-4-phenylpyridin-1-ium.

Molecular Properties

Compound Name1-[(2Z,4Z)-3-methyl-5-phenylpenta-2,4-dienyl]-4-phenylpyridin-1-ium
PubChem CID23242474
Molecular FormulaC23H22N+
Molecular Weight312.44 g/mol
Exact Mass312.17
IUPAC Name1-[(2Z,4Z)-3-methyl-5-phenylpenta-2,4-dienyl]-4-phenylpyridin-1-ium
SMILESCC(/C=C\c1ccccc1)=C/C[n+]1ccc(-c2ccccc2)cc1
InChIInChI=1S/C23H22N/c1-20(12-13-21-8-4-2-5-9-21)14-17-24-18-15-23(16-19-24)22-10-6-3-7-11-22/h2-16,18-19H,17H2,1H3/q+1/b13-12-,20-14-
InChIKeyVGTHDWICVGQISZ-SYWUKSEVSA-N
XLogP5.30
TPSA3.88 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500312.44
LogP ≤ 55.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

1-(3-phenylprop-2-enyl)-4-[1-(3-phenylprop-2-enyl)pyridin-1-ium-4-yl]pyridin-1-ium dibromide
CID 171336477
1-(3-fluoroprop-2-enyl)-4-phenylpyridin-1-ium
CID 70405310
[5-(benzenesulfonyl)-3-methylpenta-1,3-dienyl]benzene
CID 73004123
(1Z,3Z)-N,2-dimethyl-4-phenylbuta-1,3-dien-1-amine
CID 166740915
(3-methyl-6-phenylhexa-1,3,5-trienyl)benzene
CID 618811
4-phenyl-1-prop-2-enylpyridin-1-ium;1,4-xylene
CID 90739457
(4E)-3-methyl-5-phenylpenta-2,4-dienoic acid
CID 774941
[(1E,3Z)-3-methylhexa-1,3,5-trienyl]benzene
CID 165151781
2,4-dimethyl-N-[(2Z,4Z)-3-methyl-5-phenylpenta-2,4-dienyl]pentan-1-amine
CID 144530859
(3,4-difluoro-6-phenylhexa-1,3,5-trienyl)benzene
CID 53441080
(2Z,4E)-N-benzyl-3-methyl-5-phenylpenta-2,4-dienamide
CID 102036043
(4E)-1,5-diphenylpenta-1,4-dien-3-one;propan-2-one
CID 158678637

Frequently Asked Questions

What is the IUPAC name of 1-[(2Z,4Z)-3-methyl-5-phenylpenta-2,4-dienyl]-4-phenylpyridin-1-ium?
The IUPAC name of 1-[(2Z,4Z)-3-methyl-5-phenylpenta-2,4-dienyl]-4-phenylpyridin-1-ium (CID 23242474) is 1-[(2Z,4Z)-3-methyl-5-phenylpenta-2,4-dienyl]-4-phenylpyridin-1-ium.
What is the SMILES notation for 1-[(2Z,4Z)-3-methyl-5-phenylpenta-2,4-dienyl]-4-phenylpyridin-1-ium?
The canonical SMILES for 1-[(2Z,4Z)-3-methyl-5-phenylpenta-2,4-dienyl]-4-phenylpyridin-1-ium is CC(/C=C\c1ccccc1)=C/C[n+]1ccc(-c2ccccc2)cc1.
What is the InChIKey of 1-[(2Z,4Z)-3-methyl-5-phenylpenta-2,4-dienyl]-4-phenylpyridin-1-ium?
The InChIKey is VGTHDWICVGQISZ-SYWUKSEVSA-N. The full InChI is InChI=1S/C23H22N/c1-20(12-13-21-8-4-2-5-9-21)14-17-24-18-15-23(16-19-24)22-10-6-3-7-11-22/h2-16,18-19H,17H2,1H3/q+1/b13-12-,20-14-.
What are the key properties of 1-[(2Z,4Z)-3-methyl-5-phenylpenta-2,4-dienyl]-4-phenylpyridin-1-ium?
1-[(2Z,4Z)-3-methyl-5-phenylpenta-2,4-dienyl]-4-phenylpyridin-1-ium has a molecular weight of 312.44 g/mol, XLogP of 5.30, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2Z,4Z)-3-methyl-5-phenylpenta-2,4-dienyl]-4-phenylpyridin-1-ium is sourced from PubChem (CID 23242474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).