2,8-diphenyldibenzothiophene 5-oxide

C24H16OS — CID 22382174

IUPAC2,8-diphenyldibenzothiophene 5-oxide
SMILESO=S1c2ccc(-c3ccccc3)cc2-c2cc(-c3ccccc3)ccc21
InChIInChI=1S/C24H16OS/c25-26-23-13-11-19(17-7-3-1-4-8-17)15-21(23)22-16-20(12-14-24(22)26)18-9-5-2-6-10-18/h1-16H
InChIKeySXMPJXQCINRUSR-UHFFFAOYSA-N
MW352.46 g/mol
LogP6.17
Rot. Bonds2

About 2,8-diphenyldibenzothiophene 5-oxide

2,8-diphenyldibenzothiophene 5-oxide (PubChem CID 22382174) has the molecular formula C24H16OS and a molecular weight of 352.46 g/mol. Its IUPAC name is 2,8-diphenyldibenzothiophene 5-oxide.

Molecular Properties

Compound Name2,8-diphenyldibenzothiophene 5-oxide
PubChem CID22382174
Molecular FormulaC24H16OS
Molecular Weight352.46 g/mol
Exact Mass352.09
IUPAC Name2,8-diphenyldibenzothiophene 5-oxide
SMILESO=S1c2ccc(-c3ccccc3)cc2-c2cc(-c3ccccc3)ccc21
InChIInChI=1S/C24H16OS/c25-26-23-13-11-19(17-7-3-1-4-8-17)15-21(23)22-16-20(12-14-24(22)26)18-9-5-2-6-10-18/h1-16H
InChIKeySXMPJXQCINRUSR-UHFFFAOYSA-N
XLogP6.17
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500352.46
LogP ≤ 56.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2,8-diphenyldibenzothiophene 5-oxide?
The IUPAC name of 2,8-diphenyldibenzothiophene 5-oxide (CID 22382174) is 2,8-diphenyldibenzothiophene 5-oxide.
What is the SMILES notation for 2,8-diphenyldibenzothiophene 5-oxide?
The canonical SMILES for 2,8-diphenyldibenzothiophene 5-oxide is O=S1c2ccc(-c3ccccc3)cc2-c2cc(-c3ccccc3)ccc21.
What is the InChIKey of 2,8-diphenyldibenzothiophene 5-oxide?
The InChIKey is SXMPJXQCINRUSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H16OS/c25-26-23-13-11-19(17-7-3-1-4-8-17)15-21(23)22-16-20(12-14-24(22)26)18-9-5-2-6-10-18/h1-16H.
What are the key properties of 2,8-diphenyldibenzothiophene 5-oxide?
2,8-diphenyldibenzothiophene 5-oxide has a molecular weight of 352.46 g/mol, XLogP of 6.17, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,8-diphenyldibenzothiophene 5-oxide is sourced from PubChem (CID 22382174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).