2,8-dibenzyldibenzothiophene 5,5-dioxide

C26H20O2S — CID 22382160

IUPAC2,8-dibenzyldibenzothiophene 5,5-dioxide
SMILESO=S1(=O)c2ccc(Cc3ccccc3)cc2-c2cc(Cc3ccccc3)ccc21
InChIInChI=1S/C26H20O2S/c27-29(28)25-13-11-21(15-19-7-3-1-4-8-19)17-23(25)24-18-22(12-14-26(24)29)16-20-9-5-2-6-10-20/h1-14,17-18H,15-16H2
InChIKeyLVBBOSDKCCZLCK-UHFFFAOYSA-N
MW396.51 g/mol
LogP5.68
Rot. Bonds4

About 2,8-dibenzyldibenzothiophene 5,5-dioxide

2,8-dibenzyldibenzothiophene 5,5-dioxide (PubChem CID 22382160) has the molecular formula C26H20O2S and a molecular weight of 396.51 g/mol. Its IUPAC name is 2,8-dibenzyldibenzothiophene 5,5-dioxide.

Molecular Properties

Compound Name2,8-dibenzyldibenzothiophene 5,5-dioxide
PubChem CID22382160
Molecular FormulaC26H20O2S
Molecular Weight396.51 g/mol
Exact Mass396.12
IUPAC Name2,8-dibenzyldibenzothiophene 5,5-dioxide
SMILESO=S1(=O)c2ccc(Cc3ccccc3)cc2-c2cc(Cc3ccccc3)ccc21
InChIInChI=1S/C26H20O2S/c27-29(28)25-13-11-21(15-19-7-3-1-4-8-19)17-23(25)24-18-22(12-14-26(24)29)16-20-9-5-2-6-10-20/h1-14,17-18H,15-16H2
InChIKeyLVBBOSDKCCZLCK-UHFFFAOYSA-N
XLogP5.68
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500396.51
LogP ≤ 55.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,8-dibenzyldibenzothiophene 5,5-dioxide?
The IUPAC name of 2,8-dibenzyldibenzothiophene 5,5-dioxide (CID 22382160) is 2,8-dibenzyldibenzothiophene 5,5-dioxide.
What is the SMILES notation for 2,8-dibenzyldibenzothiophene 5,5-dioxide?
The canonical SMILES for 2,8-dibenzyldibenzothiophene 5,5-dioxide is O=S1(=O)c2ccc(Cc3ccccc3)cc2-c2cc(Cc3ccccc3)ccc21.
What is the InChIKey of 2,8-dibenzyldibenzothiophene 5,5-dioxide?
The InChIKey is LVBBOSDKCCZLCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H20O2S/c27-29(28)25-13-11-21(15-19-7-3-1-4-8-19)17-23(25)24-18-22(12-14-26(24)29)16-20-9-5-2-6-10-20/h1-14,17-18H,15-16H2.
What are the key properties of 2,8-dibenzyldibenzothiophene 5,5-dioxide?
2,8-dibenzyldibenzothiophene 5,5-dioxide has a molecular weight of 396.51 g/mol, XLogP of 5.68, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,8-dibenzyldibenzothiophene 5,5-dioxide is sourced from PubChem (CID 22382160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).