dibenzothiophene 5,5-dioxide;tetrakis(2-methylpropane);9H-thioxanthene 10,10-dioxide

C41H58O4S2 — CID 167573355

IUPACdibenzothiophene 5,5-dioxide;tetrakis(2-methylpropane);9H-thioxanthene 10,10-dioxide
SMILESCC(C)C.CC(C)C.CC(C)C.CC(C)C.O=S1(=O)c2ccccc2-c2ccccc21.O=S1(=O)c2ccccc2Cc2ccccc21
InChIInChI=1S/C13H10O2S.C12H8O2S.4C4H10/c14-16(15)12-7-3-1-5-10(12)9-11-6-2-4-8-13(11)16;13-15(14)11-7-3-1-5-9(11)10-6-2-4-8-12(10)15;4*1-4(2)3/h1-8H,9H2;1-8H;4*4H,1-3H3
InChIKeyGEXXZTIVCKVGCJ-UHFFFAOYSA-N
MW679.04 g/mol
LogP11.57
Rot. Bonds

About dibenzothiophene 5,5-dioxide;tetrakis(2-methylpropane);9H-thioxanthene 10,10-dioxide

dibenzothiophene 5,5-dioxide;tetrakis(2-methylpropane);9H-thioxanthene 10,10-dioxide (PubChem CID 167573355) has the molecular formula C41H58O4S2 and a molecular weight of 679.04 g/mol. Its IUPAC name is dibenzothiophene 5,5-dioxide;tetrakis(2-methylpropane);9H-thioxanthene 10,10-dioxide.

Molecular Properties

Compound Namedibenzothiophene 5,5-dioxide;tetrakis(2-methylpropane);9H-thioxanthene 10,10-dioxide
PubChem CID167573355
Molecular FormulaC41H58O4S2
Molecular Weight679.04 g/mol
Exact Mass678.38
IUPAC Namedibenzothiophene 5,5-dioxide;tetrakis(2-methylpropane);9H-thioxanthene 10,10-dioxide
SMILESCC(C)C.CC(C)C.CC(C)C.CC(C)C.O=S1(=O)c2ccccc2-c2ccccc21.O=S1(=O)c2ccccc2Cc2ccccc21
InChIInChI=1S/C13H10O2S.C12H8O2S.4C4H10/c14-16(15)12-7-3-1-5-10(12)9-11-6-2-4-8-13(11)16;13-15(14)11-7-3-1-5-9(11)10-6-2-4-8-12(10)15;4*1-4(2)3/h1-8H,9H2;1-8H;4*4H,1-3H3
InChIKeyGEXXZTIVCKVGCJ-UHFFFAOYSA-N
XLogP11.57
TPSA68.28 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500679.04
LogP ≤ 511.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze dibenzothiophene 5,5-dioxide;tetrakis(2-methylpropane);9H-thioxanthene 10,10-dioxide with MolForge

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Related Compounds

carbanide;dibenzothiophene 5,5-dioxide;ethane;tricosakis(yttrium)
CID 158868960
3-methyl-9H-thioxanthene 10,10-dioxide
CID 126688682
3-ethyl-9H-thioxanthene 10,10-dioxide
CID 157269849
4-methyl-9H-thioxanthene 10,10-dioxide
CID 134335108
10,10-dioxothioxanthen-9-one;ethane
CID 142164564
2,3-dihydroxy-11,11-dioxo-6H-benzo[b][1]benzothiepin-5-one
CID 18340927
2-methyl-10,10-dioxo-9H-thioxanthene-3-sulfonyl chloride
CID 87719750
9H-fluorene;methyl(triphenyl)phosphanium;iodide
CID 174597784
2-bromodibenzothiophene 5,5-dioxide
CID 554821
9H-fluorene;oxophosphane
CID 174601741
9H-fluorene;oxozirconium
CID 174355249
10H-anthracen-9-one;fluoren-9-one
CID 67642372

Frequently Asked Questions

What is the IUPAC name of dibenzothiophene 5,5-dioxide;tetrakis(2-methylpropane);9H-thioxanthene 10,10-dioxide?
The IUPAC name of dibenzothiophene 5,5-dioxide;tetrakis(2-methylpropane);9H-thioxanthene 10,10-dioxide (CID 167573355) is dibenzothiophene 5,5-dioxide;tetrakis(2-methylpropane);9H-thioxanthene 10,10-dioxide.
What is the SMILES notation for dibenzothiophene 5,5-dioxide;tetrakis(2-methylpropane);9H-thioxanthene 10,10-dioxide?
The canonical SMILES for dibenzothiophene 5,5-dioxide;tetrakis(2-methylpropane);9H-thioxanthene 10,10-dioxide is CC(C)C.CC(C)C.CC(C)C.CC(C)C.O=S1(=O)c2ccccc2-c2ccccc21.O=S1(=O)c2ccccc2Cc2ccccc21.
What is the InChIKey of dibenzothiophene 5,5-dioxide;tetrakis(2-methylpropane);9H-thioxanthene 10,10-dioxide?
The InChIKey is GEXXZTIVCKVGCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10O2S.C12H8O2S.4C4H10/c14-16(15)12-7-3-1-5-10(12)9-11-6-2-4-8-13(11)16;13-15(14)11-7-3-1-5-9(11)10-6-2-4-8-12(10)15;4*1-4(2)3/h1-8H,9H2;1-8H;4*4H,1-3H3.
What are the key properties of dibenzothiophene 5,5-dioxide;tetrakis(2-methylpropane);9H-thioxanthene 10,10-dioxide?
dibenzothiophene 5,5-dioxide;tetrakis(2-methylpropane);9H-thioxanthene 10,10-dioxide has a molecular weight of 679.04 g/mol, XLogP of 11.57, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for dibenzothiophene 5,5-dioxide;tetrakis(2-methylpropane);9H-thioxanthene 10,10-dioxide is sourced from PubChem (CID 167573355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).