1,2,4-trimethyl-9-(4-methylphenyl)sulfonyl-6-(2,4,6-trimethylphenyl)carbazole

C31H31NO2S — CID 177459365

IUPAC1,2,4-trimethyl-9-(4-methylphenyl)sulfonyl-6-(2,4,6-trimethylphenyl)carbazole
SMILESCc1ccc(S(=O)(=O)n2c3ccc(-c4c(C)cc(C)cc4C)cc3c3c(C)cc(C)c(C)c32)cc1
InChIInChI=1S/C31H31NO2S/c1-18-8-11-26(12-9-18)35(33,34)32-28-13-10-25(29-21(4)14-19(2)15-22(29)5)17-27(28)30-23(6)16-20(3)24(7)31(30)32/h8-17H,1-7H3
InChIKeyFNYJWXPMRUSSGU-UHFFFAOYSA-N
MW481.66 g/mol
LogP7.86
Rot. Bonds3

About 1,2,4-trimethyl-9-(4-methylphenyl)sulfonyl-6-(2,4,6-trimethylphenyl)carbazole

1,2,4-trimethyl-9-(4-methylphenyl)sulfonyl-6-(2,4,6-trimethylphenyl)carbazole (PubChem CID 177459365) has the molecular formula C31H31NO2S and a molecular weight of 481.66 g/mol. Its IUPAC name is 1,2,4-trimethyl-9-(4-methylphenyl)sulfonyl-6-(2,4,6-trimethylphenyl)carbazole.

Molecular Properties

Compound Name1,2,4-trimethyl-9-(4-methylphenyl)sulfonyl-6-(2,4,6-trimethylphenyl)carbazole
PubChem CID177459365
Molecular FormulaC31H31NO2S
Molecular Weight481.66 g/mol
Exact Mass481.21
IUPAC Name1,2,4-trimethyl-9-(4-methylphenyl)sulfonyl-6-(2,4,6-trimethylphenyl)carbazole
SMILESCc1ccc(S(=O)(=O)n2c3ccc(-c4c(C)cc(C)cc4C)cc3c3c(C)cc(C)c(C)c32)cc1
InChIInChI=1S/C31H31NO2S/c1-18-8-11-26(12-9-18)35(33,34)32-28-13-10-25(29-21(4)14-19(2)15-22(29)5)17-27(28)30-23(6)16-20(3)24(7)31(30)32/h8-17H,1-7H3
InChIKeyFNYJWXPMRUSSGU-UHFFFAOYSA-N
XLogP7.86
TPSA39.07 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500481.66
LogP ≤ 57.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3,8-dibromo-5,10-bis-(4-methylphenyl)sulfonylindolo[3,2-b]indole
CID 139048804
6-chloro-1-methyl-9-(4-methylphenyl)sulfonylcarbazole
CID 102042180
methyl 5-(4-methylphenyl)sulfonyl-1-(2,4,6-trimethylphenyl)pyrido[4,3-b]indole-3-carboxylate
CID 44631751
3-(3-carbazol-9-ylcarbazol-9-yl)-9-[9-[9-(4-methylphenyl)sulfonylcarbazol-3-yl]carbazol-3-yl]carbazole
CID 24814813
3-[3-[3-(3-carbazol-9-ylcarbazol-9-yl)carbazol-9-yl]carbazol-9-yl]-9-[9-[9-[9-(4-methylphenyl)sulfonylcarbazol-3-yl]carbazol-3-yl]carbazol-3-yl]carbazole
CID 25209134
1-(4-methylphenyl)sulfonyl-2-[3-[1-(4-methylphenyl)sulfonyl-4,5-bis(2,4,6-trimethylphenyl)imidazol-2-yl]phenyl]-4,5-bis(2,4,6-trimethylphenyl)imidazole
CID 122374420
5-methyl-1-(4-methylphenyl)sulfonyl-3-phenylindole-2-carbaldehyde
CID 54751837
3-methyl-1-(4-methylphenyl)-9-(4-methylphenyl)sulfonylpyrido[3,4-b]indole
CID 132547779
5-methyl-1-(4-methylphenyl)sulfonylindol-2-ol
CID 90800425
7,28-dimethoxy-17,18-dimethyl-13,22-bis-(4-methylphenyl)sulfonyl-13,22-diazaoctacyclo[19.11.0.02,14.03,12.04,9.015,20.023,32.026,31]dotriaconta-1(21),2(14),3(12),4(9),5,7,10,15(20),16,18,23(32),24,26(31),27,29-pentadecaene
CID 122202639
4-bromo-7-[6-(4-bromo-2,1,3-benzothiadiazol-7-yl)-9-(4-methylphenyl)sulfonylcarbazol-3-yl]-2,1,3-benzothiadiazole
CID 102340727
2-(4-chlorophenyl)-5-fluoro-3-(4-fluorophenyl)-1-(4-methylphenyl)sulfonylindole
CID 132506395

Frequently Asked Questions

What is the IUPAC name of 1,2,4-trimethyl-9-(4-methylphenyl)sulfonyl-6-(2,4,6-trimethylphenyl)carbazole?
The IUPAC name of 1,2,4-trimethyl-9-(4-methylphenyl)sulfonyl-6-(2,4,6-trimethylphenyl)carbazole (CID 177459365) is 1,2,4-trimethyl-9-(4-methylphenyl)sulfonyl-6-(2,4,6-trimethylphenyl)carbazole.
What is the SMILES notation for 1,2,4-trimethyl-9-(4-methylphenyl)sulfonyl-6-(2,4,6-trimethylphenyl)carbazole?
The canonical SMILES for 1,2,4-trimethyl-9-(4-methylphenyl)sulfonyl-6-(2,4,6-trimethylphenyl)carbazole is Cc1ccc(S(=O)(=O)n2c3ccc(-c4c(C)cc(C)cc4C)cc3c3c(C)cc(C)c(C)c32)cc1.
What is the InChIKey of 1,2,4-trimethyl-9-(4-methylphenyl)sulfonyl-6-(2,4,6-trimethylphenyl)carbazole?
The InChIKey is FNYJWXPMRUSSGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H31NO2S/c1-18-8-11-26(12-9-18)35(33,34)32-28-13-10-25(29-21(4)14-19(2)15-22(29)5)17-27(28)30-23(6)16-20(3)24(7)31(30)32/h8-17H,1-7H3.
What are the key properties of 1,2,4-trimethyl-9-(4-methylphenyl)sulfonyl-6-(2,4,6-trimethylphenyl)carbazole?
1,2,4-trimethyl-9-(4-methylphenyl)sulfonyl-6-(2,4,6-trimethylphenyl)carbazole has a molecular weight of 481.66 g/mol, XLogP of 7.86, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,4-trimethyl-9-(4-methylphenyl)sulfonyl-6-(2,4,6-trimethylphenyl)carbazole is sourced from PubChem (CID 177459365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).