[(E)-1-diphenylphosphoryl-2-phenylselanylethenyl]benzene

C26H21OPSe — CID 25228506

IUPAC[(E)-1-diphenylphosphoryl-2-phenylselanylethenyl]benzene
SMILESO=P(/C(=C/[Se]c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C26H21OPSe/c27-28(23-15-7-2-8-16-23,24-17-9-3-10-18-24)26(22-13-5-1-6-14-22)21-29-25-19-11-4-12-20-25/h1-21H/b26-21+
InChIKeyUFPZHJDWOFVXFS-YYADALCUSA-N
MW459.39 g/mol
LogP5.03
Rot. Bonds6

About [(E)-1-diphenylphosphoryl-2-phenylselanylethenyl]benzene

[(E)-1-diphenylphosphoryl-2-phenylselanylethenyl]benzene (PubChem CID 25228506) has the molecular formula C26H21OPSe and a molecular weight of 459.39 g/mol. Its IUPAC name is [(E)-1-diphenylphosphoryl-2-phenylselanylethenyl]benzene.

Molecular Properties

Compound Name[(E)-1-diphenylphosphoryl-2-phenylselanylethenyl]benzene
PubChem CID25228506
Molecular FormulaC26H21OPSe
Molecular Weight459.39 g/mol
Exact Mass460.05
IUPAC Name[(E)-1-diphenylphosphoryl-2-phenylselanylethenyl]benzene
SMILESO=P(/C(=C/[Se]c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C26H21OPSe/c27-28(23-15-7-2-8-16-23,24-17-9-3-10-18-24)26(22-13-5-1-6-14-22)21-29-25-19-11-4-12-20-25/h1-21H/b26-21+
InChIKeyUFPZHJDWOFVXFS-YYADALCUSA-N
XLogP5.03
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500459.39
LogP ≤ 55.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-[(E)-1-diphenylphosphoryl-2-phenylselanylethenyl]-4-pentylbenzene
CID 25228624
2-phenylselanylethene-1,1-diol
CID 11790922
[(1Z,3Z)-1,4-bis(diphenylphosphoryl)deca-1,3-dienyl]benzene
CID 101396585
1-[(1E,3E)-4-diphenylphosphoryl-4-(4-methylphenyl)buta-1,3-dienyl]-4-methylbenzene
CID 11532149
1-[(Z)-1-phenyl-2-phenylselanylethenyl]imidazole
CID 102130202
diphenylphosphoryl-(3-methylphenyl)methanone
CID 57182272
1-(2,2-diphenylethenylselanyl)-4-fluorobenzene
CID 150580942
bis(diphenylphosphoryl)methylidene-triphenyl-λ5-phosphane
CID 4028958
1-methyl-4-[(Z)-1-phenyl-2-phenylselanylethenyl]sulfonylbenzene
CID 134936070
[2-(2,2-diphenylethenyldiselanyl)-1-phenylethenyl]benzene
CID 134932536
(Z)-3-diphenylphosphoryl-3-(1-hydroxycyclopropyl)-1,2-diphenylprop-2-en-1-one
CID 71734622
[3-[hydroxy(phenyl)phosphoryl]carbonylbenzoyl]-phenylphosphinic acid
CID 178174312

Frequently Asked Questions

What is the IUPAC name of [(E)-1-diphenylphosphoryl-2-phenylselanylethenyl]benzene?
The IUPAC name of [(E)-1-diphenylphosphoryl-2-phenylselanylethenyl]benzene (CID 25228506) is [(E)-1-diphenylphosphoryl-2-phenylselanylethenyl]benzene.
What is the SMILES notation for [(E)-1-diphenylphosphoryl-2-phenylselanylethenyl]benzene?
The canonical SMILES for [(E)-1-diphenylphosphoryl-2-phenylselanylethenyl]benzene is O=P(/C(=C/[Se]c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1.
What is the InChIKey of [(E)-1-diphenylphosphoryl-2-phenylselanylethenyl]benzene?
The InChIKey is UFPZHJDWOFVXFS-YYADALCUSA-N. The full InChI is InChI=1S/C26H21OPSe/c27-28(23-15-7-2-8-16-23,24-17-9-3-10-18-24)26(22-13-5-1-6-14-22)21-29-25-19-11-4-12-20-25/h1-21H/b26-21+.
What are the key properties of [(E)-1-diphenylphosphoryl-2-phenylselanylethenyl]benzene?
[(E)-1-diphenylphosphoryl-2-phenylselanylethenyl]benzene has a molecular weight of 459.39 g/mol, XLogP of 5.03, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-1-diphenylphosphoryl-2-phenylselanylethenyl]benzene is sourced from PubChem (CID 25228506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).