[(Z)-2,3-bis(phenylselanyl)prop-1-enyl]benzene

C21H18Se2 — CID 102573736

IUPAC[(Z)-2,3-bis(phenylselanyl)prop-1-enyl]benzene
SMILESC(=C(/C[Se]c1ccccc1)[Se]c1ccccc1)\c1ccccc1
InChIInChI=1S/C21H18Se2/c1-4-10-18(11-5-1)16-21(23-20-14-8-3-9-15-20)17-22-19-12-6-2-7-13-19/h1-16H,17H2/b21-16-
InChIKeyMYAUVZFMOANXRY-PGMHBOJBSA-N
MW428.30 g/mol
LogP3.51
Rot. Bonds6

About [(Z)-2,3-bis(phenylselanyl)prop-1-enyl]benzene

[(Z)-2,3-bis(phenylselanyl)prop-1-enyl]benzene (PubChem CID 102573736) has the molecular formula C21H18Se2 and a molecular weight of 428.30 g/mol. Its IUPAC name is [(Z)-2,3-bis(phenylselanyl)prop-1-enyl]benzene.

Molecular Properties

Compound Name[(Z)-2,3-bis(phenylselanyl)prop-1-enyl]benzene
PubChem CID102573736
Molecular FormulaC21H18Se2
Molecular Weight428.30 g/mol
Exact Mass429.97
IUPAC Name[(Z)-2,3-bis(phenylselanyl)prop-1-enyl]benzene
SMILESC(=C(/C[Se]c1ccccc1)[Se]c1ccccc1)\c1ccccc1
InChIInChI=1S/C21H18Se2/c1-4-10-18(11-5-1)16-21(23-20-14-8-3-9-15-20)17-22-19-12-6-2-7-13-19/h1-16H,17H2/b21-16-
InChIKeyMYAUVZFMOANXRY-PGMHBOJBSA-N
XLogP3.51
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.30
LogP ≤ 53.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

[(Z)-1-phenylselanyloct-2-en-2-yl]selanylbenzene
CID 54763336
(E)-1-phenyl-2-(phenylselanylmethyl)non-1-en-3-one
CID 177396673
1-chloro-4-[(E)-2-phenylselanylprop-1-enyl]benzene
CID 134932145
[(E)-3-bromo-2-methylprop-1-enyl]benzene
CID 10910824
[(E)-1-cyclobutyl-2-phenylethenyl]selanylbenzene
CID 177428467
[(2Z)-1-methoxyhexa-2,5-dien-2-yl]selanylbenzene
CID 102472359
3,3-dimethyl-1-phenylselanylbutan-2-one
CID 11357271
[(1E,3Z)-1-phenylpenta-1,3-dien-3-yl]selanylbenzene
CID 102274955
[(E)-non-3-en-3-yl]selanylbenzene
CID 102123205
[(E)-dec-5-en-5-yl]selanylbenzene
CID 12741495
(Z)-4-phenylbut-3-ene-1,2,3-triol
CID 5463840
(2-methyl-3-phenylprop-1-enyl)benzene
CID 15841501

Frequently Asked Questions

What is the IUPAC name of [(Z)-2,3-bis(phenylselanyl)prop-1-enyl]benzene?
The IUPAC name of [(Z)-2,3-bis(phenylselanyl)prop-1-enyl]benzene (CID 102573736) is [(Z)-2,3-bis(phenylselanyl)prop-1-enyl]benzene.
What is the SMILES notation for [(Z)-2,3-bis(phenylselanyl)prop-1-enyl]benzene?
The canonical SMILES for [(Z)-2,3-bis(phenylselanyl)prop-1-enyl]benzene is C(=C(/C[Se]c1ccccc1)[Se]c1ccccc1)\c1ccccc1.
What is the InChIKey of [(Z)-2,3-bis(phenylselanyl)prop-1-enyl]benzene?
The InChIKey is MYAUVZFMOANXRY-PGMHBOJBSA-N. The full InChI is InChI=1S/C21H18Se2/c1-4-10-18(11-5-1)16-21(23-20-14-8-3-9-15-20)17-22-19-12-6-2-7-13-19/h1-16H,17H2/b21-16-.
What are the key properties of [(Z)-2,3-bis(phenylselanyl)prop-1-enyl]benzene?
[(Z)-2,3-bis(phenylselanyl)prop-1-enyl]benzene has a molecular weight of 428.30 g/mol, XLogP of 3.51, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [(Z)-2,3-bis(phenylselanyl)prop-1-enyl]benzene is sourced from PubChem (CID 102573736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).