[(1E,3Z)-1-phenylpenta-1,3-dien-3-yl]selanylbenzene

C17H16Se — CID 102274955

IUPAC[(1E,3Z)-1-phenylpenta-1,3-dien-3-yl]selanylbenzene
SMILESC/C=C(/C=C/c1ccccc1)[Se]c1ccccc1
InChIInChI=1S/C17H16Se/c1-2-16(18-17-11-7-4-8-12-17)14-13-15-9-5-3-6-10-15/h2-14H,1H3/b14-13+,16-2-
InChIKeyGSQSUOHNJPPIRQ-JAHPZBGRSA-N
MW299.28 g/mol
LogP3.63
Rot. Bonds4

About [(1E,3Z)-1-phenylpenta-1,3-dien-3-yl]selanylbenzene

[(1E,3Z)-1-phenylpenta-1,3-dien-3-yl]selanylbenzene (PubChem CID 102274955) has the molecular formula C17H16Se and a molecular weight of 299.28 g/mol. Its IUPAC name is [(1E,3Z)-1-phenylpenta-1,3-dien-3-yl]selanylbenzene.

Molecular Properties

Compound Name[(1E,3Z)-1-phenylpenta-1,3-dien-3-yl]selanylbenzene
PubChem CID102274955
Molecular FormulaC17H16Se
Molecular Weight299.28 g/mol
Exact Mass300.04
IUPAC Name[(1E,3Z)-1-phenylpenta-1,3-dien-3-yl]selanylbenzene
SMILESC/C=C(/C=C/c1ccccc1)[Se]c1ccccc1
InChIInChI=1S/C17H16Se/c1-2-16(18-17-11-7-4-8-12-17)14-13-15-9-5-3-6-10-15/h2-14H,1H3/b14-13+,16-2-
InChIKeyGSQSUOHNJPPIRQ-JAHPZBGRSA-N
XLogP3.63
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.28
LogP ≤ 53.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

[(1Z,3Z)-3-bromopenta-1,3-dienyl]benzene
CID 143617374
1,3-diphenylprop-2-en-1-one;ethane
CID 91274718
[(3E)-3-tert-butylpenta-1,3-dienyl]benzene
CID 144969758
(Z)-3-phenylprop-2-enoic acid
CID 5372954
(1E,4E)-1,5-diphenylpenta-1,4-dien-3-one
CID 157206787
(3,4-difluoro-6-phenylhexa-1,3,5-trienyl)benzene
CID 53441080
[(1E,3Z)-3-methylhexa-1,3,5-trienyl]benzene
CID 165151781
(E)-3-phenyl-1-[4-[(E)-3-phenylprop-2-enoyl]phenyl]prop-2-en-1-one
CID 5369391
(4E)-1,5-diphenylpenta-1,4-dien-3-one;propan-2-one
CID 158678637
3-phenylprop-2-enoic acid;trimethylsilane
CID 175438890
1-phenyl-5-trimethylsilylpent-1-en-4-yn-3-one
CID 71332412
ethane;[(Z)-prop-1-enyl]benzene
CID 90831801

Frequently Asked Questions

What is the IUPAC name of [(1E,3Z)-1-phenylpenta-1,3-dien-3-yl]selanylbenzene?
The IUPAC name of [(1E,3Z)-1-phenylpenta-1,3-dien-3-yl]selanylbenzene (CID 102274955) is [(1E,3Z)-1-phenylpenta-1,3-dien-3-yl]selanylbenzene.
What is the SMILES notation for [(1E,3Z)-1-phenylpenta-1,3-dien-3-yl]selanylbenzene?
The canonical SMILES for [(1E,3Z)-1-phenylpenta-1,3-dien-3-yl]selanylbenzene is C/C=C(/C=C/c1ccccc1)[Se]c1ccccc1.
What is the InChIKey of [(1E,3Z)-1-phenylpenta-1,3-dien-3-yl]selanylbenzene?
The InChIKey is GSQSUOHNJPPIRQ-JAHPZBGRSA-N. The full InChI is InChI=1S/C17H16Se/c1-2-16(18-17-11-7-4-8-12-17)14-13-15-9-5-3-6-10-15/h2-14H,1H3/b14-13+,16-2-.
What are the key properties of [(1E,3Z)-1-phenylpenta-1,3-dien-3-yl]selanylbenzene?
[(1E,3Z)-1-phenylpenta-1,3-dien-3-yl]selanylbenzene has a molecular weight of 299.28 g/mol, XLogP of 3.63, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [(1E,3Z)-1-phenylpenta-1,3-dien-3-yl]selanylbenzene is sourced from PubChem (CID 102274955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).