7-methyl-9-phenyl-[1]benzothiolo[2,3-b]carbazole

C25H17NS — CID 169027876

IUPAC7-methyl-9-phenyl-[1]benzothiolo[2,3-b]carbazole
SMILESCn1c2cc(-c3ccccc3)ccc2c2cc3c(cc21)sc1ccccc13
InChIInChI=1S/C25H17NS/c1-26-22-13-17(16-7-3-2-4-8-16)11-12-18(22)20-14-21-19-9-5-6-10-24(19)27-25(21)15-23(20)26/h2-15H,1H3
InChIKeyKWMWORCMHMESRY-UHFFFAOYSA-N
MW363.49 g/mol
LogP7.37
Rot. Bonds1

About 7-methyl-9-phenyl-[1]benzothiolo[2,3-b]carbazole

7-methyl-9-phenyl-[1]benzothiolo[2,3-b]carbazole (PubChem CID 169027876) has the molecular formula C25H17NS and a molecular weight of 363.49 g/mol. Its IUPAC name is 7-methyl-9-phenyl-[1]benzothiolo[2,3-b]carbazole.

Molecular Properties

Compound Name7-methyl-9-phenyl-[1]benzothiolo[2,3-b]carbazole
PubChem CID169027876
Molecular FormulaC25H17NS
Molecular Weight363.49 g/mol
Exact Mass363.11
IUPAC Name7-methyl-9-phenyl-[1]benzothiolo[2,3-b]carbazole
SMILESCn1c2cc(-c3ccccc3)ccc2c2cc3c(cc21)sc1ccccc13
InChIInChI=1S/C25H17NS/c1-26-22-13-17(16-7-3-2-4-8-16)11-12-18(22)20-14-21-19-9-5-6-10-24(19)27-25(21)15-23(20)26/h2-15H,1H3
InChIKeyKWMWORCMHMESRY-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

11-methyl-3-phenyl-[1]benzothiolo[3,2-b]carbazole
CID 169027644
7-phenyl-9-(7-phenyl-[1]benzothiolo[2,3-b]carbazol-10-yl)-[1]benzothiolo[2,3-b]carbazole
CID 134223431
7-methyl-11-phenyl-[1]benzothiolo[2,3-b]carbazole
CID 169028017
10-(9-phenylcarbazol-3-yl)-7-(4-phenylphenyl)-[1]benzothiolo[2,3-b]carbazole
CID 160787122
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-dibenzothiophen-3-yl-5-methylbenzo[b]carbazole
CID 126631809
7-[3,5-bis(3-phenylphenyl)phenyl]-[1]benzothiolo[2,3-b]carbazole
CID 142356250
7-[4-[4-(4-carbazol-9-ylphenyl)phenyl]phenyl]-[1]benzothiolo[2,3-b]carbazole
CID 167193393
7-[3-[4-([1]benzothiolo[2,3-b]carbazol-7-yl)phenyl]phenyl]-[1]benzothiolo[2,3-b]carbazole
CID 167193329
10-(5,7-diphenylindolo[2,3-b]carbazol-2-yl)-7-phenyl-[1]benzothiolo[2,3-b]carbazole
CID 134223312
3-(9-dibenzothiophen-3-ylcarbazol-3-yl)-6-phenyl-9-(4-phenylphenyl)carbazole
CID 170072646
5-methyl-2-phenyl-[1]benzothiolo[3,2-c]carbazole
CID 167224268

Frequently Asked Questions

What is the IUPAC name of 7-methyl-9-phenyl-[1]benzothiolo[2,3-b]carbazole?
The IUPAC name of 7-methyl-9-phenyl-[1]benzothiolo[2,3-b]carbazole (CID 169027876) is 7-methyl-9-phenyl-[1]benzothiolo[2,3-b]carbazole.
What is the SMILES notation for 7-methyl-9-phenyl-[1]benzothiolo[2,3-b]carbazole?
The canonical SMILES for 7-methyl-9-phenyl-[1]benzothiolo[2,3-b]carbazole is Cn1c2cc(-c3ccccc3)ccc2c2cc3c(cc21)sc1ccccc13.
What is the InChIKey of 7-methyl-9-phenyl-[1]benzothiolo[2,3-b]carbazole?
The InChIKey is KWMWORCMHMESRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H17NS/c1-26-22-13-17(16-7-3-2-4-8-16)11-12-18(22)20-14-21-19-9-5-6-10-24(19)27-25(21)15-23(20)26/h2-15H,1H3.
What are the key properties of 7-methyl-9-phenyl-[1]benzothiolo[2,3-b]carbazole?
7-methyl-9-phenyl-[1]benzothiolo[2,3-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 7-methyl-9-phenyl-[1]benzothiolo[2,3-b]carbazole is sourced from PubChem (CID 169027876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).