11-methyl-7-phenyl-[1]benzothiolo[3,2-b]carbazole

C25H17NS — CID 169027727

IUPAC11-methyl-7-phenyl-[1]benzothiolo[3,2-b]carbazole
SMILESCn1c2cc3c(cc2c2c(-c4ccccc4)cccc21)sc1ccccc13
InChIInChI=1S/C25H17NS/c1-26-21-12-7-11-17(16-8-3-2-4-9-16)25(21)20-15-24-19(14-22(20)26)18-10-5-6-13-23(18)27-24/h2-15H,1H3
InChIKeyOGWUYNIXCPRBEU-UHFFFAOYSA-N
MW363.49 g/mol
LogP7.37
Rot. Bonds1

About 11-methyl-7-phenyl-[1]benzothiolo[3,2-b]carbazole

11-methyl-7-phenyl-[1]benzothiolo[3,2-b]carbazole (PubChem CID 169027727) has the molecular formula C25H17NS and a molecular weight of 363.49 g/mol. Its IUPAC name is 11-methyl-7-phenyl-[1]benzothiolo[3,2-b]carbazole.

Molecular Properties

Compound Name11-methyl-7-phenyl-[1]benzothiolo[3,2-b]carbazole
PubChem CID169027727
Molecular FormulaC25H17NS
Molecular Weight363.49 g/mol
Exact Mass363.11
IUPAC Name11-methyl-7-phenyl-[1]benzothiolo[3,2-b]carbazole
SMILESCn1c2cc3c(cc2c2c(-c4ccccc4)cccc21)sc1ccccc13
InChIInChI=1S/C25H17NS/c1-26-21-12-7-11-17(16-8-3-2-4-9-16)25(21)20-15-24-19(14-22(20)26)18-10-5-6-13-23(18)27-24/h2-15H,1H3
InChIKeyOGWUYNIXCPRBEU-UHFFFAOYSA-N
XLogP7.37
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500363.49
LogP ≤ 57.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

7-methyl-11-phenyl-[1]benzothiolo[2,3-b]carbazole
CID 169028017
5-methyl-1,11-diphenylindolo[3,2-b]carbazole
CID 176615313
11-methyl-3-phenyl-[1]benzothiolo[3,2-b]carbazole
CID 169027644
11-methyl-7-phenyl-[1]benzofuro[3,2-b]carbazole
CID 169027784
9-dibenzothiophen-2-yl-3-(9-dibenzothiophen-2-ylcarbazol-3-yl)-5-phenylcarbazole
CID 170072891
7-methyl-9-phenyl-[1]benzothiolo[2,3-b]carbazole
CID 169027876
9-dibenzothiophen-2-yl-5-phenyl-3-[9-(4-phenylphenyl)carbazol-3-yl]carbazole
CID 170072885
9-dibenzothiophen-3-yl-5-phenyl-3-[9-(4-phenylphenyl)carbazol-3-yl]carbazole
CID 170072881
9-[4-(4-dibenzothiophen-2-ylphenyl)phenyl]-4-phenylcarbazole
CID 163988724
15,25,25-trimethyl-5-thia-15-azaheptacyclo[14.11.0.02,14.04,12.06,11.018,26.019,24]heptacosa-1(27),2(14),3,6,8,10,12,16,18(26),19,21,23-dodecaene
CID 145449904
1-phenyldibenzothiophene;hydrobromide
CID 174679709
16,18-diphenyl-5-thia-15-azaoctacyclo[18.12.0.02,14.04,12.06,11.015,19.021,26.027,32]dotriaconta-1(20),2(14),3,6,8,10,12,16,18,21,23,25,27,29,31-pentadecaene
CID 139436553

Frequently Asked Questions

What is the IUPAC name of 11-methyl-7-phenyl-[1]benzothiolo[3,2-b]carbazole?
The IUPAC name of 11-methyl-7-phenyl-[1]benzothiolo[3,2-b]carbazole (CID 169027727) is 11-methyl-7-phenyl-[1]benzothiolo[3,2-b]carbazole.
What is the SMILES notation for 11-methyl-7-phenyl-[1]benzothiolo[3,2-b]carbazole?
The canonical SMILES for 11-methyl-7-phenyl-[1]benzothiolo[3,2-b]carbazole is Cn1c2cc3c(cc2c2c(-c4ccccc4)cccc21)sc1ccccc13.
What is the InChIKey of 11-methyl-7-phenyl-[1]benzothiolo[3,2-b]carbazole?
The InChIKey is OGWUYNIXCPRBEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H17NS/c1-26-21-12-7-11-17(16-8-3-2-4-9-16)25(21)20-15-24-19(14-22(20)26)18-10-5-6-13-23(18)27-24/h2-15H,1H3.
What are the key properties of 11-methyl-7-phenyl-[1]benzothiolo[3,2-b]carbazole?
11-methyl-7-phenyl-[1]benzothiolo[3,2-b]carbazole has a molecular weight of 363.49 g/mol, XLogP of 7.37, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 11-methyl-7-phenyl-[1]benzothiolo[3,2-b]carbazole is sourced from PubChem (CID 169027727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).