dibenzo-p-dioxin-2-yl-diphenyl-sulfanylidene-λ5-phosphane

C24H17O2PS — CID 126501807

IUPACdibenzo-p-dioxin-2-yl-diphenyl-sulfanylidene-λ5-phosphane
SMILESS=P(c1ccccc1)(c1ccccc1)c1ccc2c(c1)Oc1ccccc1O2
InChIInChI=1S/C24H17O2PS/c28-27(18-9-3-1-4-10-18,19-11-5-2-6-12-19)20-15-16-23-24(17-20)26-22-14-8-7-13-21(22)25-23/h1-17H
InChIKeyJHDHTRSLOKYGDI-UHFFFAOYSA-N
MW400.44 g/mol
LogP5.34
Rot. Bonds3

About dibenzo-p-dioxin-2-yl-diphenyl-sulfanylidene-λ5-phosphane

dibenzo-p-dioxin-2-yl-diphenyl-sulfanylidene-λ5-phosphane (PubChem CID 126501807) has the molecular formula C24H17O2PS and a molecular weight of 400.44 g/mol. Its IUPAC name is dibenzo-p-dioxin-2-yl-diphenyl-sulfanylidene-λ5-phosphane.

Molecular Properties

Compound Namedibenzo-p-dioxin-2-yl-diphenyl-sulfanylidene-λ5-phosphane
PubChem CID126501807
Molecular FormulaC24H17O2PS
Molecular Weight400.44 g/mol
Exact Mass400.07
IUPAC Namedibenzo-p-dioxin-2-yl-diphenyl-sulfanylidene-λ5-phosphane
SMILESS=P(c1ccccc1)(c1ccccc1)c1ccc2c(c1)Oc1ccccc1O2
InChIInChI=1S/C24H17O2PS/c28-27(18-9-3-1-4-10-18,19-11-5-2-6-12-19)20-15-16-23-24(17-20)26-22-14-8-7-13-21(22)25-23/h1-17H
InChIKeyJHDHTRSLOKYGDI-UHFFFAOYSA-N
XLogP5.34
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500400.44
LogP ≤ 55.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

benzo[a]oxanthren-5-yl-diphenyl-sulfanylidene-λ5-phosphane
CID 126501773
7-oxabicyclo[4.1.0]hepta-1,3,5-triene;sulfane
CID 174614993
dibenzo-p-dioxin-2-amine
CID 1070744
bromo-diphenyl-sulfanylidene-λ5-phosphane
CID 23415811
ethane;methanamine;2-phenyldibenzo-p-dioxin
CID 144875802
dibenzo-p-dioxin-2-yl(phenyl)methanone
CID 4613440
(3-diphenylphosphinothioyloxyphenyl)-diphenyl-sulfanylidene-λ5-phosphane
CID 102296827
N-[dimethylamino-(3-diphenylphosphinothioylphenoxy)phosphinothioyl]-N-methylmethanamine
CID 102296825
dibenzo-p-dioxin-2-ylmethanol
CID 86276590
2-(4-bromophenyl)dibenzo-p-dioxin
CID 126629841
(4-nitrophenyl)-diphenyl-sulfanylidene-λ5-phosphane
CID 71366671
[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-diphenyl-sulfanylidene-λ5-phosphane
CID 140901933

Frequently Asked Questions

What is the IUPAC name of dibenzo-p-dioxin-2-yl-diphenyl-sulfanylidene-λ5-phosphane?
The IUPAC name of dibenzo-p-dioxin-2-yl-diphenyl-sulfanylidene-λ5-phosphane (CID 126501807) is dibenzo-p-dioxin-2-yl-diphenyl-sulfanylidene-λ5-phosphane.
What is the SMILES notation for dibenzo-p-dioxin-2-yl-diphenyl-sulfanylidene-λ5-phosphane?
The canonical SMILES for dibenzo-p-dioxin-2-yl-diphenyl-sulfanylidene-λ5-phosphane is S=P(c1ccccc1)(c1ccccc1)c1ccc2c(c1)Oc1ccccc1O2.
What is the InChIKey of dibenzo-p-dioxin-2-yl-diphenyl-sulfanylidene-λ5-phosphane?
The InChIKey is JHDHTRSLOKYGDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H17O2PS/c28-27(18-9-3-1-4-10-18,19-11-5-2-6-12-19)20-15-16-23-24(17-20)26-22-14-8-7-13-21(22)25-23/h1-17H.
What are the key properties of dibenzo-p-dioxin-2-yl-diphenyl-sulfanylidene-λ5-phosphane?
dibenzo-p-dioxin-2-yl-diphenyl-sulfanylidene-λ5-phosphane has a molecular weight of 400.44 g/mol, XLogP of 5.34, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for dibenzo-p-dioxin-2-yl-diphenyl-sulfanylidene-λ5-phosphane is sourced from PubChem (CID 126501807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).