[phenyl(1-phenylsulfanylethenyl)phosphoryl]benzene

C20H17OPS — CID 12793063

IUPAC[phenyl(1-phenylsulfanylethenyl)phosphoryl]benzene
SMILESC=C(Sc1ccccc1)P(=O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C20H17OPS/c1-17(23-20-15-9-4-10-16-20)22(21,18-11-5-2-6-12-18)19-13-7-3-8-14-19/h2-16H,1H2
InChIKeyIBVZJLNLDCXGIV-UHFFFAOYSA-N
MW336.40 g/mol
LogP5.26
Rot. Bonds5

About [phenyl(1-phenylsulfanylethenyl)phosphoryl]benzene

[phenyl(1-phenylsulfanylethenyl)phosphoryl]benzene (PubChem CID 12793063) has the molecular formula C20H17OPS and a molecular weight of 336.40 g/mol. Its IUPAC name is [phenyl(1-phenylsulfanylethenyl)phosphoryl]benzene.

Molecular Properties

Compound Name[phenyl(1-phenylsulfanylethenyl)phosphoryl]benzene
PubChem CID12793063
Molecular FormulaC20H17OPS
Molecular Weight336.40 g/mol
Exact Mass336.07
IUPAC Name[phenyl(1-phenylsulfanylethenyl)phosphoryl]benzene
SMILESC=C(Sc1ccccc1)P(=O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C20H17OPS/c1-17(23-20-15-9-4-10-16-20)22(21,18-11-5-2-6-12-18)19-13-7-3-8-14-19/h2-16H,1H2
InChIKeyIBVZJLNLDCXGIV-UHFFFAOYSA-N
XLogP5.26
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500336.40
LogP ≤ 55.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [phenyl(1-phenylsulfanylethenyl)phosphoryl]benzene?
The IUPAC name of [phenyl(1-phenylsulfanylethenyl)phosphoryl]benzene (CID 12793063) is [phenyl(1-phenylsulfanylethenyl)phosphoryl]benzene.
What is the SMILES notation for [phenyl(1-phenylsulfanylethenyl)phosphoryl]benzene?
The canonical SMILES for [phenyl(1-phenylsulfanylethenyl)phosphoryl]benzene is C=C(Sc1ccccc1)P(=O)(c1ccccc1)c1ccccc1.
What is the InChIKey of [phenyl(1-phenylsulfanylethenyl)phosphoryl]benzene?
The InChIKey is IBVZJLNLDCXGIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17OPS/c1-17(23-20-15-9-4-10-16-20)22(21,18-11-5-2-6-12-18)19-13-7-3-8-14-19/h2-16H,1H2.
What are the key properties of [phenyl(1-phenylsulfanylethenyl)phosphoryl]benzene?
[phenyl(1-phenylsulfanylethenyl)phosphoryl]benzene has a molecular weight of 336.40 g/mol, XLogP of 5.26, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [phenyl(1-phenylsulfanylethenyl)phosphoryl]benzene is sourced from PubChem (CID 12793063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).