[(Z)-1-benzylselanyl-4-phenylbut-1-en-3-ynyl]benzene

C23H18Se — CID 23625558

IUPAC[(Z)-1-benzylselanyl-4-phenylbut-1-en-3-ynyl]benzene
SMILESC(#Cc1ccccc1)/C=C(\[Se]Cc1ccccc1)c1ccccc1
InChIInChI=1S/C23H18Se/c1-4-11-20(12-5-1)15-10-18-23(22-16-8-3-9-17-22)24-19-21-13-6-2-7-14-21/h1-9,11-14,16-18H,19H2/b23-18-
InChIKeyAOJTYMSQMVAWTI-NKFKGCMQSA-N
MW373.36 g/mol
LogP4.98
Rot. Bonds4

About [(Z)-1-benzylselanyl-4-phenylbut-1-en-3-ynyl]benzene

[(Z)-1-benzylselanyl-4-phenylbut-1-en-3-ynyl]benzene (PubChem CID 23625558) has the molecular formula C23H18Se and a molecular weight of 373.36 g/mol. Its IUPAC name is [(Z)-1-benzylselanyl-4-phenylbut-1-en-3-ynyl]benzene.

Molecular Properties

Compound Name[(Z)-1-benzylselanyl-4-phenylbut-1-en-3-ynyl]benzene
PubChem CID23625558
Molecular FormulaC23H18Se
Molecular Weight373.36 g/mol
Exact Mass374.06
IUPAC Name[(Z)-1-benzylselanyl-4-phenylbut-1-en-3-ynyl]benzene
SMILESC(#Cc1ccccc1)/C=C(\[Se]Cc1ccccc1)c1ccccc1
InChIInChI=1S/C23H18Se/c1-4-11-20(12-5-1)15-10-18-23(22-16-8-3-9-17-22)24-19-21-13-6-2-7-14-21/h1-9,11-14,16-18H,19H2/b23-18-
InChIKeyAOJTYMSQMVAWTI-NKFKGCMQSA-N
XLogP4.98
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.36
LogP ≤ 54.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [(Z)-1-benzylselanyl-4-phenylbut-1-en-3-ynyl]benzene?
The IUPAC name of [(Z)-1-benzylselanyl-4-phenylbut-1-en-3-ynyl]benzene (CID 23625558) is [(Z)-1-benzylselanyl-4-phenylbut-1-en-3-ynyl]benzene.
What is the SMILES notation for [(Z)-1-benzylselanyl-4-phenylbut-1-en-3-ynyl]benzene?
The canonical SMILES for [(Z)-1-benzylselanyl-4-phenylbut-1-en-3-ynyl]benzene is C(#Cc1ccccc1)/C=C(\[Se]Cc1ccccc1)c1ccccc1.
What is the InChIKey of [(Z)-1-benzylselanyl-4-phenylbut-1-en-3-ynyl]benzene?
The InChIKey is AOJTYMSQMVAWTI-NKFKGCMQSA-N. The full InChI is InChI=1S/C23H18Se/c1-4-11-20(12-5-1)15-10-18-23(22-16-8-3-9-17-22)24-19-21-13-6-2-7-14-21/h1-9,11-14,16-18H,19H2/b23-18-.
What are the key properties of [(Z)-1-benzylselanyl-4-phenylbut-1-en-3-ynyl]benzene?
[(Z)-1-benzylselanyl-4-phenylbut-1-en-3-ynyl]benzene has a molecular weight of 373.36 g/mol, XLogP of 4.98, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [(Z)-1-benzylselanyl-4-phenylbut-1-en-3-ynyl]benzene is sourced from PubChem (CID 23625558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).