3-(9-methylcarbazol-1-yl)dibenzothiophene 5,5-dioxide

C25H17NO2S — CID 126632614

IUPAC3-(9-methylcarbazol-1-yl)dibenzothiophene 5,5-dioxide
SMILESCn1c2ccccc2c2cccc(-c3ccc4c(c3)S(=O)(=O)c3ccccc3-4)c21
InChIInChI=1S/C25H17NO2S/c1-26-22-11-4-2-7-18(22)21-10-6-9-17(25(21)26)16-13-14-20-19-8-3-5-12-23(19)29(27,28)24(20)15-16/h2-15H,1H3
InChIKeyWBILJEXFRVHWPZ-UHFFFAOYSA-N
MW395.48 g/mol
LogP5.81
Rot. Bonds1

About 3-(9-methylcarbazol-1-yl)dibenzothiophene 5,5-dioxide

3-(9-methylcarbazol-1-yl)dibenzothiophene 5,5-dioxide (PubChem CID 126632614) has the molecular formula C25H17NO2S and a molecular weight of 395.48 g/mol. Its IUPAC name is 3-(9-methylcarbazol-1-yl)dibenzothiophene 5,5-dioxide.

Molecular Properties

Compound Name3-(9-methylcarbazol-1-yl)dibenzothiophene 5,5-dioxide
PubChem CID126632614
Molecular FormulaC25H17NO2S
Molecular Weight395.48 g/mol
Exact Mass395.10
IUPAC Name3-(9-methylcarbazol-1-yl)dibenzothiophene 5,5-dioxide
SMILESCn1c2ccccc2c2cccc(-c3ccc4c(c3)S(=O)(=O)c3ccccc3-4)c21
InChIInChI=1S/C25H17NO2S/c1-26-22-11-4-2-7-18(22)21-10-6-9-17(25(21)26)16-13-14-20-19-8-3-5-12-23(19)29(27,28)24(20)15-16/h2-15H,1H3
InChIKeyWBILJEXFRVHWPZ-UHFFFAOYSA-N
XLogP5.81
TPSA39.07 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500395.48
LogP ≤ 55.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-(5,5-dimethyldibenzothiophen-3-yl)-5-methylbenzo[b]carbazole;ethane
CID 144920008
3-(5-methylbenzo[b]carbazol-2-yl)dibenzothiophene 5,5-dioxide
CID 126632627
3-carbazol-9-yldibenzothiophene 5,5-dioxide
CID 135131341
4-(9-methylcarbazol-1-yl)-N,N-bis[4-(9-methylcarbazol-1-yl)phenyl]aniline
CID 146558759
3-[4-(3-carbazol-9-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]dibenzothiophene 5,5-dioxide
CID 169131778
6-methyl-[1]benzothiolo[2,3-b]indole 5,5-dioxide
CID 138982392
19λ6-thia-1-azapentacyclo[10.7.1.02,7.08,20.013,18]icosa-2,4,6,8(20),9,11,13,15,17-nonaene 19,19-dioxide
CID 71277223
2,8-bis(2-carbazol-9-ylphenyl)dibenzothiophene 5,5-dioxide
CID 135252120
2-[6-(5-methylindolo[3,2-b]carbazol-11-yl)dibenzothiophen-4-yl]-10,10-dioxothioxanthen-9-one
CID 122435447
6-(9-methylcarbazol-3-yl)-9-phenyl-1-(9-phenylcarbazol-3-yl)carbazole
CID 126630373
3-[5,11-diphenyl-12-(9,10,10-trioxothioxanthen-3-yl)indolo[3,2-b]carbazol-6-yl]-10,10-dioxothioxanthen-9-one
CID 155081222
7,9-dimethyl-1-phenylcarbazole
CID 118392012

Frequently Asked Questions

What is the IUPAC name of 3-(9-methylcarbazol-1-yl)dibenzothiophene 5,5-dioxide?
The IUPAC name of 3-(9-methylcarbazol-1-yl)dibenzothiophene 5,5-dioxide (CID 126632614) is 3-(9-methylcarbazol-1-yl)dibenzothiophene 5,5-dioxide.
What is the SMILES notation for 3-(9-methylcarbazol-1-yl)dibenzothiophene 5,5-dioxide?
The canonical SMILES for 3-(9-methylcarbazol-1-yl)dibenzothiophene 5,5-dioxide is Cn1c2ccccc2c2cccc(-c3ccc4c(c3)S(=O)(=O)c3ccccc3-4)c21.
What is the InChIKey of 3-(9-methylcarbazol-1-yl)dibenzothiophene 5,5-dioxide?
The InChIKey is WBILJEXFRVHWPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H17NO2S/c1-26-22-11-4-2-7-18(22)21-10-6-9-17(25(21)26)16-13-14-20-19-8-3-5-12-23(19)29(27,28)24(20)15-16/h2-15H,1H3.
What are the key properties of 3-(9-methylcarbazol-1-yl)dibenzothiophene 5,5-dioxide?
3-(9-methylcarbazol-1-yl)dibenzothiophene 5,5-dioxide has a molecular weight of 395.48 g/mol, XLogP of 5.81, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(9-methylcarbazol-1-yl)dibenzothiophene 5,5-dioxide is sourced from PubChem (CID 126632614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).