4-(2-methylphenyl)thieno[3,4-b]indole

C17H13NS — CID 132503643

IUPAC4-(2-methylphenyl)thieno[3,4-b]indole
SMILESCc1ccccc1-n1c2ccccc2c2cscc21
InChIInChI=1S/C17H13NS/c1-12-6-2-4-8-15(12)18-16-9-5-3-7-13(16)14-10-19-11-17(14)18/h2-11H,1H3
InChIKeyJDGCCIZPLPCHNM-UHFFFAOYSA-N
MW263.37 g/mol
LogP5.15
Rot. Bonds1

About 4-(2-methylphenyl)thieno[3,4-b]indole

4-(2-methylphenyl)thieno[3,4-b]indole (PubChem CID 132503643) has the molecular formula C17H13NS and a molecular weight of 263.37 g/mol. Its IUPAC name is 4-(2-methylphenyl)thieno[3,4-b]indole.

Molecular Properties

Compound Name4-(2-methylphenyl)thieno[3,4-b]indole
PubChem CID132503643
Molecular FormulaC17H13NS
Molecular Weight263.37 g/mol
Exact Mass263.08
IUPAC Name4-(2-methylphenyl)thieno[3,4-b]indole
SMILESCc1ccccc1-n1c2ccccc2c2cscc21
InChIInChI=1S/C17H13NS/c1-12-6-2-4-8-15(12)18-16-9-5-3-7-13(16)14-10-19-11-17(14)18/h2-11H,1H3
InChIKeyJDGCCIZPLPCHNM-UHFFFAOYSA-N
XLogP5.15
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500263.37
LogP ≤ 55.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 4-(2-methylphenyl)thieno[3,4-b]indole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-carbazol-9-yl-9-(2-methylphenyl)carbazole
CID 174273239
3-(2-carbazol-9-ylphenyl)-9-(2-methylphenyl)carbazole
CID 164986167
[9-(2-methylphenyl)carbazol-3-yl]-triphenylsilane
CID 168811116
3,6-bis[9-(2-methylphenyl)carbazol-3-yl]-9H-carbazole
CID 59307119
9-(2-methylphenyl)-3-[4-[(E)-2-[4-[9-(2-methylphenyl)carbazol-3-yl]phenyl]ethenyl]phenyl]carbazole
CID 59383702
9-[2-methyl-3-(2-methylphenyl)phenyl]carbazole
CID 67374081
9-[2-(2-carbazol-9-yl-6-methylphenyl)sulfanylphenyl]carbazole
CID 134228715
1-methyl-9-(2-methylphenyl)pyrido[2,3-b]indol-1-ium
CID 123854128
3-(4-benzylphenyl)-9-(2-methylphenyl)carbazole
CID 157348806
3-methyl-9-[2-(3-methylcarbazol-9-yl)phenyl]carbazole
CID 58771355
9-(4-carbazol-9-ylnaphthalen-1-yl)carbazole
CID 154791880
2-methyl-1-(2-methylphenyl)-3-[(Z)-prop-1-enyl]indole
CID 144585528

Frequently Asked Questions

What is the IUPAC name of 4-(2-methylphenyl)thieno[3,4-b]indole?
The IUPAC name of 4-(2-methylphenyl)thieno[3,4-b]indole (CID 132503643) is 4-(2-methylphenyl)thieno[3,4-b]indole.
What is the SMILES notation for 4-(2-methylphenyl)thieno[3,4-b]indole?
The canonical SMILES for 4-(2-methylphenyl)thieno[3,4-b]indole is Cc1ccccc1-n1c2ccccc2c2cscc21.
What is the InChIKey of 4-(2-methylphenyl)thieno[3,4-b]indole?
The InChIKey is JDGCCIZPLPCHNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13NS/c1-12-6-2-4-8-15(12)18-16-9-5-3-7-13(16)14-10-19-11-17(14)18/h2-11H,1H3.
What are the key properties of 4-(2-methylphenyl)thieno[3,4-b]indole?
4-(2-methylphenyl)thieno[3,4-b]indole has a molecular weight of 263.37 g/mol, XLogP of 5.15, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methylphenyl)thieno[3,4-b]indole is sourced from PubChem (CID 132503643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).