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

C25H17NS — CID 169027644

IUPAC11-methyl-3-phenyl-[1]benzothiolo[3,2-b]carbazole
SMILESCn1c2ccccc2c2cc3sc4cc(-c5ccccc5)ccc4c3cc21
InChIInChI=1S/C25H17NS/c1-26-22-10-6-5-9-18(22)20-15-25-21(14-23(20)26)19-12-11-17(13-24(19)27-25)16-7-3-2-4-8-16/h2-15H,1H3
InChIKeyBLUGLDWJOLGBBX-UHFFFAOYSA-N
MW363.49 g/mol
LogP7.37
Rot. Bonds1

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

11-methyl-3-phenyl-[1]benzothiolo[3,2-b]carbazole (PubChem CID 169027644) has the molecular formula C25H17NS and a molecular weight of 363.49 g/mol. Its IUPAC name is 11-methyl-3-phenyl-[1]benzothiolo[3,2-b]carbazole.

Molecular Properties

Compound Name11-methyl-3-phenyl-[1]benzothiolo[3,2-b]carbazole
PubChem CID169027644
Molecular FormulaC25H17NS
Molecular Weight363.49 g/mol
Exact Mass363.11
IUPAC Name11-methyl-3-phenyl-[1]benzothiolo[3,2-b]carbazole
SMILESCn1c2ccccc2c2cc3sc4cc(-c5ccccc5)ccc4c3cc21
InChIInChI=1S/C25H17NS/c1-26-22-10-6-5-9-18(22)20-15-25-21(14-23(20)26)19-12-11-17(13-24(19)27-25)16-7-3-2-4-8-16/h2-15H,1H3
InChIKeyBLUGLDWJOLGBBX-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-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
9-methyl-3-[5-[7-[5-(9-methylcarbazol-3-yl)thiophen-2-yl]dibenzothiophen-3-yl]thiophen-2-yl]carbazole
CID 134392036
9-methyl-3-(9-methylcarbazol-3-yl)-6-(4-phenylphenyl)carbazole
CID 134359342
3-phenyl-9-(7-phenyldibenzothiophen-3-yl)carbazole
CID 170279316
2-dibenzothiophen-3-yl-5-methylbenzo[b]carbazole
CID 126631809
11-methyl-7-phenyl-[1]benzothiolo[3,2-b]carbazole
CID 169027727
5-(4-dibenzothiophen-3-ylphenyl)-11-(3-phenylphenyl)indolo[3,2-b]carbazole
CID 171414679
5-methyl-11-[4-(4-phenylphenyl)phenyl]indolo[3,2-b]carbazole
CID 153276106
5-methyl-2,11-diphenylindolo[3,2-b]carbazole
CID 176615470
10-dibenzothiophen-3-yl-23-(3,5-diphenylphenyl)-23-azahexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(14),2,4,6,8(13),9,11,15,17,19,21,24-dodecaene
CID 121324813
11-[4-(3-carbazol-9-yl-5-phenylphenyl)phenyl]-[1]benzothiolo[3,2-b]carbazole
CID 167193260

Frequently Asked Questions

What is the IUPAC name of 11-methyl-3-phenyl-[1]benzothiolo[3,2-b]carbazole?
The IUPAC name of 11-methyl-3-phenyl-[1]benzothiolo[3,2-b]carbazole (CID 169027644) is 11-methyl-3-phenyl-[1]benzothiolo[3,2-b]carbazole.
What is the SMILES notation for 11-methyl-3-phenyl-[1]benzothiolo[3,2-b]carbazole?
The canonical SMILES for 11-methyl-3-phenyl-[1]benzothiolo[3,2-b]carbazole is Cn1c2ccccc2c2cc3sc4cc(-c5ccccc5)ccc4c3cc21.
What is the InChIKey of 11-methyl-3-phenyl-[1]benzothiolo[3,2-b]carbazole?
The InChIKey is BLUGLDWJOLGBBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H17NS/c1-26-22-10-6-5-9-18(22)20-15-25-21(14-23(20)26)19-12-11-17(13-24(19)27-25)16-7-3-2-4-8-16/h2-15H,1H3.
What are the key properties of 11-methyl-3-phenyl-[1]benzothiolo[3,2-b]carbazole?
11-methyl-3-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-3-phenyl-[1]benzothiolo[3,2-b]carbazole is sourced from PubChem (CID 169027644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).