2-phenyl-4-thiophen-2-yl-5H-pyrido[3,2-b]indole

C21H14N2S — CID 132573446

IUPAC2-phenyl-4-thiophen-2-yl-5H-pyrido[3,2-b]indole
SMILESc1ccc(-c2cc(-c3cccs3)c3[nH]c4ccccc4c3n2)cc1
InChIInChI=1S/C21H14N2S/c1-2-7-14(8-3-1)18-13-16(19-11-6-12-24-19)21-20(23-18)15-9-4-5-10-17(15)22-21/h1-13,22H
InChIKeyHMAUZOGORGIPGV-UHFFFAOYSA-N
MW326.42 g/mol
LogP6.11
Rot. Bonds2

About 2-phenyl-4-thiophen-2-yl-5H-pyrido[3,2-b]indole

2-phenyl-4-thiophen-2-yl-5H-pyrido[3,2-b]indole (PubChem CID 132573446) has the molecular formula C21H14N2S and a molecular weight of 326.42 g/mol. Its IUPAC name is 2-phenyl-4-thiophen-2-yl-5H-pyrido[3,2-b]indole.

Molecular Properties

Compound Name2-phenyl-4-thiophen-2-yl-5H-pyrido[3,2-b]indole
PubChem CID132573446
Molecular FormulaC21H14N2S
Molecular Weight326.42 g/mol
Exact Mass326.09
IUPAC Name2-phenyl-4-thiophen-2-yl-5H-pyrido[3,2-b]indole
SMILESc1ccc(-c2cc(-c3cccs3)c3[nH]c4ccccc4c3n2)cc1
InChIInChI=1S/C21H14N2S/c1-2-7-14(8-3-1)18-13-16(19-11-6-12-24-19)21-20(23-18)15-9-4-5-10-17(15)22-21/h1-13,22H
InChIKeyHMAUZOGORGIPGV-UHFFFAOYSA-N
XLogP6.11
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500326.42
LogP ≤ 56.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-phenyl-4-thiophen-2-yl-5H-pyrido[3,2-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

Frequently Asked Questions

What is the IUPAC name of 2-phenyl-4-thiophen-2-yl-5H-pyrido[3,2-b]indole?
The IUPAC name of 2-phenyl-4-thiophen-2-yl-5H-pyrido[3,2-b]indole (CID 132573446) is 2-phenyl-4-thiophen-2-yl-5H-pyrido[3,2-b]indole.
What is the SMILES notation for 2-phenyl-4-thiophen-2-yl-5H-pyrido[3,2-b]indole?
The canonical SMILES for 2-phenyl-4-thiophen-2-yl-5H-pyrido[3,2-b]indole is c1ccc(-c2cc(-c3cccs3)c3[nH]c4ccccc4c3n2)cc1.
What is the InChIKey of 2-phenyl-4-thiophen-2-yl-5H-pyrido[3,2-b]indole?
The InChIKey is HMAUZOGORGIPGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H14N2S/c1-2-7-14(8-3-1)18-13-16(19-11-6-12-24-19)21-20(23-18)15-9-4-5-10-17(15)22-21/h1-13,22H.
What are the key properties of 2-phenyl-4-thiophen-2-yl-5H-pyrido[3,2-b]indole?
2-phenyl-4-thiophen-2-yl-5H-pyrido[3,2-b]indole has a molecular weight of 326.42 g/mol, XLogP of 6.11, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-4-thiophen-2-yl-5H-pyrido[3,2-b]indole is sourced from PubChem (CID 132573446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).