2,8-diphenyldibenzothiophene 5,5-dioxide

C24H16O2S — CID 22382132

IUPAC2,8-diphenyldibenzothiophene 5,5-dioxide
SMILESO=S1(=O)c2ccc(-c3ccccc3)cc2-c2cc(-c3ccccc3)ccc21
InChIInChI=1S/C24H16O2S/c25-27(26)23-13-11-19(17-7-3-1-4-8-17)15-21(23)22-16-20(12-14-24(22)27)18-9-5-2-6-10-18/h1-16H
InChIKeyADVCHQAVKZYGKP-UHFFFAOYSA-N
MW368.46 g/mol
LogP5.83
Rot. Bonds2

About 2,8-diphenyldibenzothiophene 5,5-dioxide

2,8-diphenyldibenzothiophene 5,5-dioxide (PubChem CID 22382132) has the molecular formula C24H16O2S and a molecular weight of 368.46 g/mol. Its IUPAC name is 2,8-diphenyldibenzothiophene 5,5-dioxide.

Molecular Properties

Compound Name2,8-diphenyldibenzothiophene 5,5-dioxide
PubChem CID22382132
Molecular FormulaC24H16O2S
Molecular Weight368.46 g/mol
Exact Mass368.09
IUPAC Name2,8-diphenyldibenzothiophene 5,5-dioxide
SMILESO=S1(=O)c2ccc(-c3ccccc3)cc2-c2cc(-c3ccccc3)ccc21
InChIInChI=1S/C24H16O2S/c25-27(26)23-13-11-19(17-7-3-1-4-8-17)15-21(23)22-16-20(12-14-24(22)27)18-9-5-2-6-10-18/h1-16H
InChIKeyADVCHQAVKZYGKP-UHFFFAOYSA-N
XLogP5.83
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500368.46
LogP ≤ 55.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,8-diphenyldibenzothiophene 5,5-dioxide?
The IUPAC name of 2,8-diphenyldibenzothiophene 5,5-dioxide (CID 22382132) is 2,8-diphenyldibenzothiophene 5,5-dioxide.
What is the SMILES notation for 2,8-diphenyldibenzothiophene 5,5-dioxide?
The canonical SMILES for 2,8-diphenyldibenzothiophene 5,5-dioxide is O=S1(=O)c2ccc(-c3ccccc3)cc2-c2cc(-c3ccccc3)ccc21.
What is the InChIKey of 2,8-diphenyldibenzothiophene 5,5-dioxide?
The InChIKey is ADVCHQAVKZYGKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H16O2S/c25-27(26)23-13-11-19(17-7-3-1-4-8-17)15-21(23)22-16-20(12-14-24(22)27)18-9-5-2-6-10-18/h1-16H.
What are the key properties of 2,8-diphenyldibenzothiophene 5,5-dioxide?
2,8-diphenyldibenzothiophene 5,5-dioxide has a molecular weight of 368.46 g/mol, XLogP of 5.83, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,8-diphenyldibenzothiophene 5,5-dioxide is sourced from PubChem (CID 22382132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).