5-methylsulfonyl-11-phenylbenzo[b]carbazole

C23H17NO2S — CID 164667760

IUPAC5-methylsulfonyl-11-phenylbenzo[b]carbazole
SMILESCS(=O)(=O)n1c2ccccc2c2c(-c3ccccc3)c3ccccc3cc21
InChIInChI=1S/C23H17NO2S/c1-27(25,26)24-20-14-8-7-13-19(20)23-21(24)15-17-11-5-6-12-18(17)22(23)16-9-3-2-4-10-16/h2-15H,1H3
InChIKeyKONNQTJMCGCNHQ-UHFFFAOYSA-N
MW371.46 g/mol
LogP5.42
Rot. Bonds2

About 5-methylsulfonyl-11-phenylbenzo[b]carbazole

5-methylsulfonyl-11-phenylbenzo[b]carbazole (PubChem CID 164667760) has the molecular formula C23H17NO2S and a molecular weight of 371.46 g/mol. Its IUPAC name is 5-methylsulfonyl-11-phenylbenzo[b]carbazole.

Molecular Properties

Compound Name5-methylsulfonyl-11-phenylbenzo[b]carbazole
PubChem CID164667760
Molecular FormulaC23H17NO2S
Molecular Weight371.46 g/mol
Exact Mass371.10
IUPAC Name5-methylsulfonyl-11-phenylbenzo[b]carbazole
SMILESCS(=O)(=O)n1c2ccccc2c2c(-c3ccccc3)c3ccccc3cc21
InChIInChI=1S/C23H17NO2S/c1-27(25,26)24-20-14-8-7-13-19(20)23-21(24)15-17-11-5-6-12-18(17)22(23)16-9-3-2-4-10-16/h2-15H,1H3
InChIKeyKONNQTJMCGCNHQ-UHFFFAOYSA-N
XLogP5.42
TPSA39.07 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500371.46
LogP ≤ 55.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-phenyl-N-[3-(5-phenylbenzo[b]carbazol-11-yl)phenyl]-N-[4-(4-phenylphenyl)phenyl]aniline
CID 167195423
8-phenyl-5-[4-(10-phenylanthracen-9-yl)phenyl]naphtho[2,3-c]carbazole
CID 164740424
10,18-bis(2,6-dimethyl-4-phenylphenyl)-1-azaheptacyclo[14.10.1.02,11.04,9.012,27.017,26.019,24]heptacosa-2,4,6,8,10,12(27),13,15,17,19,21,23,25-tridecaene
CID 146375932
3,5-diphenyl-N-[3-(5-phenylbenzo[b]carbazol-11-yl)phenyl]-N-(3-phenylphenyl)aniline
CID 166659620
3-(5-phenylbenzo[b]carbazol-11-yl)-N,N-bis[4-(3-phenylphenyl)phenyl]aniline
CID 167194690
5-phenyl-11-[4-(8-thiatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12,14-octaen-12-yl)phenyl]benzo[b]carbazole
CID 170041619
5,12-diphenyltetracene;5,6,11,12-tetraphenyltetracene
CID 160818251
9-(3-anthracen-9-ylphenyl)-10-phenylanthracene
CID 58321138
15,26-diphenylhexacyclo[12.12.0.02,7.08,13.016,25.018,23]hexacosa-1(26),2,4,6,8,10,12,14,16,18,20,22,24-tridecaene
CID 123175805
ethane;5,6,11,12-tetraphenyltetracene
CID 91142519
16,30-diphenyloctacyclo[15.11.1.14,28.02,15.03,12.06,11.019,24.025,29]triaconta-1,3(12),4,6,8,10,13,15,17,19,21,23,25(29),26,28(30)-pentadecaene
CID 86210878
5-phenylbenzo[b]fluoren-11-one
CID 10494864

Frequently Asked Questions

What is the IUPAC name of 5-methylsulfonyl-11-phenylbenzo[b]carbazole?
The IUPAC name of 5-methylsulfonyl-11-phenylbenzo[b]carbazole (CID 164667760) is 5-methylsulfonyl-11-phenylbenzo[b]carbazole.
What is the SMILES notation for 5-methylsulfonyl-11-phenylbenzo[b]carbazole?
The canonical SMILES for 5-methylsulfonyl-11-phenylbenzo[b]carbazole is CS(=O)(=O)n1c2ccccc2c2c(-c3ccccc3)c3ccccc3cc21.
What is the InChIKey of 5-methylsulfonyl-11-phenylbenzo[b]carbazole?
The InChIKey is KONNQTJMCGCNHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17NO2S/c1-27(25,26)24-20-14-8-7-13-19(20)23-21(24)15-17-11-5-6-12-18(17)22(23)16-9-3-2-4-10-16/h2-15H,1H3.
What are the key properties of 5-methylsulfonyl-11-phenylbenzo[b]carbazole?
5-methylsulfonyl-11-phenylbenzo[b]carbazole has a molecular weight of 371.46 g/mol, XLogP of 5.42, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methylsulfonyl-11-phenylbenzo[b]carbazole is sourced from PubChem (CID 164667760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).