3-(5-methylbenzo[b]carbazol-2-yl)dibenzothiophene 5,5-dioxide

C29H19NO2S — CID 126632627

IUPAC3-(5-methylbenzo[b]carbazol-2-yl)dibenzothiophene 5,5-dioxide
SMILESCn1c2ccc(-c3ccc4c(c3)S(=O)(=O)c3ccccc3-4)cc2c2cc3ccccc3cc21
InChIInChI=1S/C29H19NO2S/c1-30-26-13-11-20(15-24(26)25-14-18-6-2-3-7-19(18)16-27(25)30)21-10-12-23-22-8-4-5-9-28(22)33(31,32)29(23)17-21/h2-17H,1H3
InChIKeyXGTIVKCAMYNPKY-UHFFFAOYSA-N
MW445.54 g/mol
LogP6.96
Rot. Bonds1

About 3-(5-methylbenzo[b]carbazol-2-yl)dibenzothiophene 5,5-dioxide

3-(5-methylbenzo[b]carbazol-2-yl)dibenzothiophene 5,5-dioxide (PubChem CID 126632627) has the molecular formula C29H19NO2S and a molecular weight of 445.54 g/mol. Its IUPAC name is 3-(5-methylbenzo[b]carbazol-2-yl)dibenzothiophene 5,5-dioxide.

Molecular Properties

Compound Name3-(5-methylbenzo[b]carbazol-2-yl)dibenzothiophene 5,5-dioxide
PubChem CID126632627
Molecular FormulaC29H19NO2S
Molecular Weight445.54 g/mol
Exact Mass445.11
IUPAC Name3-(5-methylbenzo[b]carbazol-2-yl)dibenzothiophene 5,5-dioxide
SMILESCn1c2ccc(-c3ccc4c(c3)S(=O)(=O)c3ccccc3-4)cc2c2cc3ccccc3cc21
InChIInChI=1S/C29H19NO2S/c1-30-26-13-11-20(15-24(26)25-14-18-6-2-3-7-19(18)16-27(25)30)21-10-12-23-22-8-4-5-9-28(22)33(31,32)29(23)17-21/h2-17H,1H3
InChIKeyXGTIVKCAMYNPKY-UHFFFAOYSA-N
XLogP6.96
TPSA39.07 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500445.54
LogP ≤ 56.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-(9-methylcarbazol-1-yl)dibenzothiophene 5,5-dioxide
CID 126632614
4-(5,5-dimethyldibenzothiophen-3-yl)-5-methylbenzo[b]carbazole;ethane
CID 144920008
N-[4-[4-(5-methylbenzo[b]carbazol-2-yl)phenyl]phenyl]-N,4-diphenylaniline
CID 126631207
5-(4-phenylphenyl)-8λ6-thiatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaene 8,8-dioxide
CID 122485077
2-dibenzothiophen-3-yl-5-methylbenzo[b]carbazole
CID 126631809
16-methyl-16-azaheptacyclo[15.12.0.02,15.04,13.06,11.019,28.021,26]nonacosa-1(29),2,4,6,8,10,12,14,17,19,21,23,25,27-tetradecaene
CID 126749251
3-(11,11-dimethyl-5-phenyl-[1]benzosilolo[3,2-b]carbazol-2-yl)dibenzothiophene 5,5-dioxide
CID 148817621
5-methyl-2-[9-(4-phenylphenyl)carbazol-3-yl]benzo[b]carbazole
CID 138662748
ethane;9-methyl-3-(9-methylcarbazol-3-yl)carbazole
CID 158738351
ethene;2-[9-methyl-7-(9-phenylcarbazol-3-yl)carbazol-3-yl]-5-phenylbenzo[b]carbazole
CID 144919767
3-[9-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)dibenzofuran-2-yl]dibenzothiophene 5,5-dioxide
CID 169131800
4-[4,6-bis[3-(4-fluorophenyl)phenyl]-1,3,5-triazin-2-yl]-26λ6-thiahexacyclo[25.4.0.02,7.08,13.014,19.020,25]hentriaconta-1(31),2(7),3,5,8,10,12,14,16,18,20,22,24,27,29-pentadecaene 26,26-dioxide
CID 134572110

Frequently Asked Questions

What is the IUPAC name of 3-(5-methylbenzo[b]carbazol-2-yl)dibenzothiophene 5,5-dioxide?
The IUPAC name of 3-(5-methylbenzo[b]carbazol-2-yl)dibenzothiophene 5,5-dioxide (CID 126632627) is 3-(5-methylbenzo[b]carbazol-2-yl)dibenzothiophene 5,5-dioxide.
What is the SMILES notation for 3-(5-methylbenzo[b]carbazol-2-yl)dibenzothiophene 5,5-dioxide?
The canonical SMILES for 3-(5-methylbenzo[b]carbazol-2-yl)dibenzothiophene 5,5-dioxide is Cn1c2ccc(-c3ccc4c(c3)S(=O)(=O)c3ccccc3-4)cc2c2cc3ccccc3cc21.
What is the InChIKey of 3-(5-methylbenzo[b]carbazol-2-yl)dibenzothiophene 5,5-dioxide?
The InChIKey is XGTIVKCAMYNPKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H19NO2S/c1-30-26-13-11-20(15-24(26)25-14-18-6-2-3-7-19(18)16-27(25)30)21-10-12-23-22-8-4-5-9-28(22)33(31,32)29(23)17-21/h2-17H,1H3.
What are the key properties of 3-(5-methylbenzo[b]carbazol-2-yl)dibenzothiophene 5,5-dioxide?
3-(5-methylbenzo[b]carbazol-2-yl)dibenzothiophene 5,5-dioxide has a molecular weight of 445.54 g/mol, XLogP of 6.96, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-methylbenzo[b]carbazol-2-yl)dibenzothiophene 5,5-dioxide is sourced from PubChem (CID 126632627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).