5-methyl-2-phenyl-[1]benzothiolo[3,2-c]carbazole

C25H17NS — CID 167224268

IUPAC5-methyl-2-phenyl-[1]benzothiolo[3,2-c]carbazole
SMILESCn1c2ccc(-c3ccccc3)cc2c2c3sc4ccccc4c3ccc21
InChIInChI=1S/C25H17NS/c1-26-21-13-11-17(16-7-3-2-4-8-16)15-20(21)24-22(26)14-12-19-18-9-5-6-10-23(18)27-25(19)24/h2-15H,1H3
InChIKeyNETZYAHFJUGSSY-UHFFFAOYSA-N
MW363.49 g/mol
LogP7.37
Rot. Bonds1

About 5-methyl-2-phenyl-[1]benzothiolo[3,2-c]carbazole

5-methyl-2-phenyl-[1]benzothiolo[3,2-c]carbazole (PubChem CID 167224268) has the molecular formula C25H17NS and a molecular weight of 363.49 g/mol. Its IUPAC name is 5-methyl-2-phenyl-[1]benzothiolo[3,2-c]carbazole.

Molecular Properties

Compound Name5-methyl-2-phenyl-[1]benzothiolo[3,2-c]carbazole
PubChem CID167224268
Molecular FormulaC25H17NS
Molecular Weight363.49 g/mol
Exact Mass363.11
IUPAC Name5-methyl-2-phenyl-[1]benzothiolo[3,2-c]carbazole
SMILESCn1c2ccc(-c3ccccc3)cc2c2c3sc4ccccc4c3ccc21
InChIInChI=1S/C25H17NS/c1-26-21-13-11-17(16-7-3-2-4-8-16)15-20(21)24-22(26)14-12-19-18-9-5-6-10-23(18)27-25(19)24/h2-15H,1H3
InChIKeyNETZYAHFJUGSSY-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

3-tert-butyl-5-methyl-[1]benzothiolo[3,2-c]carbazole
CID 169027694
5-(4-dibenzothiophen-4-ylphenyl)-11-phenyl-[1]benzothiolo[3,2-c]carbazole;2-phenyl-5-[4-(9-phenylcarbazol-3-yl)phenyl]-[1]benzothiolo[3,2-c]carbazole
CID 158127290
5-[10-(3-phenylphenyl)anthracen-9-yl]-16-thiahexacyclo[12.11.0.02,7.08,13.015,23.017,22]pentacosa-1(14),2(7),3,5,8,10,12,15(23),17,19,21,24-dodecaene
CID 147541455
9-methyl-3-(9-methylcarbazol-3-yl)-6-(4-phenylphenyl)carbazole
CID 134359342
7-(9-phenylcarbazol-3-yl)-[1]benzothiolo[2,3-b]carbazole;5-phenyl-2-(9-phenylcarbazol-3-yl)-[1]benzothiolo[3,2-c]carbazole;7-phenyl-5-(4-phenylphenyl)indolo[2,3-b]carbazole
CID 162164972
2-(9-naphthalen-1-ylcarbazol-3-yl)-5-(3-phenylphenyl)-[1]benzothiolo[3,2-c]carbazole
CID 121343953
7-methyl-9-phenyl-[1]benzothiolo[2,3-b]carbazole
CID 169027876
9-methyl-3-(9-methylcarbazol-2-yl)-6-phenylcarbazole;9-methyl-3-(9-methylcarbazol-3-yl)-6-phenylcarbazole;9-methyl-3-(9-methylcarbazol-3-yl)-6-(4-phenylphenyl)carbazole
CID 157228450
2-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-3-yl]-5-phenyl-[1]benzothiolo[3,2-c]carbazole
CID 67701024
2-dibenzothiophen-3-yl-5-methylbenzo[b]carbazole
CID 126631809
2-phenyl-5H-[1]benzothiolo[3,2-c]carbazole
CID 71234830
5-methyl-11-phenyl-[1]benzothiolo[3,2-c]carbazole
CID 144782003

Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-phenyl-[1]benzothiolo[3,2-c]carbazole?
The IUPAC name of 5-methyl-2-phenyl-[1]benzothiolo[3,2-c]carbazole (CID 167224268) is 5-methyl-2-phenyl-[1]benzothiolo[3,2-c]carbazole.
What is the SMILES notation for 5-methyl-2-phenyl-[1]benzothiolo[3,2-c]carbazole?
The canonical SMILES for 5-methyl-2-phenyl-[1]benzothiolo[3,2-c]carbazole is Cn1c2ccc(-c3ccccc3)cc2c2c3sc4ccccc4c3ccc21.
What is the InChIKey of 5-methyl-2-phenyl-[1]benzothiolo[3,2-c]carbazole?
The InChIKey is NETZYAHFJUGSSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H17NS/c1-26-21-13-11-17(16-7-3-2-4-8-16)15-20(21)24-22(26)14-12-19-18-9-5-6-10-23(18)27-25(19)24/h2-15H,1H3.
What are the key properties of 5-methyl-2-phenyl-[1]benzothiolo[3,2-c]carbazole?
5-methyl-2-phenyl-[1]benzothiolo[3,2-c]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 5-methyl-2-phenyl-[1]benzothiolo[3,2-c]carbazole is sourced from PubChem (CID 167224268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).