3-[1H-indol-3-yl(thiophen-2-yl)methylidene]indole

C21H14N2S — CID 161408451

IUPAC3-[1H-indol-3-yl(thiophen-2-yl)methylidene]indole
SMILESC1=Nc2ccccc2C1=C(c1cccs1)c1c[nH]c2ccccc12
InChIInChI=1S/C21H14N2S/c1-3-8-18-14(6-1)16(12-22-18)21(20-10-5-11-24-20)17-13-23-19-9-4-2-7-15(17)19/h1-13,22H
InChIKeyJDXNHZNBSZNXFL-UHFFFAOYSA-N
MW326.42 g/mol
LogP5.90
Rot. Bonds2

About 3-[1H-indol-3-yl(thiophen-2-yl)methylidene]indole

3-[1H-indol-3-yl(thiophen-2-yl)methylidene]indole (PubChem CID 161408451) has the molecular formula C21H14N2S and a molecular weight of 326.42 g/mol. Its IUPAC name is 3-[1H-indol-3-yl(thiophen-2-yl)methylidene]indole.

Molecular Properties

Compound Name3-[1H-indol-3-yl(thiophen-2-yl)methylidene]indole
PubChem CID161408451
Molecular FormulaC21H14N2S
Molecular Weight326.42 g/mol
Exact Mass326.09
IUPAC Name3-[1H-indol-3-yl(thiophen-2-yl)methylidene]indole
SMILESC1=Nc2ccccc2C1=C(c1cccs1)c1c[nH]c2ccccc12
InChIInChI=1S/C21H14N2S/c1-3-8-18-14(6-1)16(12-22-18)21(20-10-5-11-24-20)17-13-23-19-9-4-2-7-15(17)19/h1-13,22H
InChIKeyJDXNHZNBSZNXFL-UHFFFAOYSA-N
XLogP5.90
TPSA28.15 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500326.42
LogP ≤ 55.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3-[1H-indol-3-yl(thiophen-2-yl)methylidene]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

3-[1H-indol-3-yl(naphthalen-1-yl)methylidene]indole
CID 158733846
2-[(E)-1H-indol-3-yl(indol-3-ylidene)methyl]phenol
CID 155772220
2-[1H-indol-3-yl(indol-3-ylidene)methyl]phenol
CID 158788217
3-[(1-ethylpyridin-1-ium-3-yl)-(1H-indol-3-yl)methylidene]indole
CID 158832849
5-fluoro-3-[1H-indol-3-yl-[4-(trifluoromethyl)phenyl]methylidene]indole
CID 158099262
(3Z)-5-fluoro-3-[1H-indol-3-yl-[4-(trifluoromethyl)phenyl]methylidene]indole
CID 155772193
(3Z)-3-[1H-indol-3-yl-[4-(trifluoromethyl)phenyl]methylidene]-7-methoxyindole
CID 155772104
[(2R)-1-(1H-indol-3-yl)-1-oxopropan-2-yl] thiophene-2-carboxylate
CID 8631199
[4-hydroxy-5-(indol-3-ylidenemethyl)-1H-imidazol-2-yl]-(1H-indol-3-yl)methanone
CID 136691197
(3Z)-3-[(5-hydroxy-1H-indol-3-yl)-[4-(trifluoromethyl)phenyl]methylidene]indol-5-ol
CID 155772110
N-[1-[2-(1H-indole-3-carbonyl)hydrazinyl]-3-methyl-1-oxobutan-2-yl]thiophene-2-carboxamide
CID 78804961
1H-indol-3-yl-(3-methylthiophen-2-yl)methanone
CID 43463190

Frequently Asked Questions

What is the IUPAC name of 3-[1H-indol-3-yl(thiophen-2-yl)methylidene]indole?
The IUPAC name of 3-[1H-indol-3-yl(thiophen-2-yl)methylidene]indole (CID 161408451) is 3-[1H-indol-3-yl(thiophen-2-yl)methylidene]indole.
What is the SMILES notation for 3-[1H-indol-3-yl(thiophen-2-yl)methylidene]indole?
The canonical SMILES for 3-[1H-indol-3-yl(thiophen-2-yl)methylidene]indole is C1=Nc2ccccc2C1=C(c1cccs1)c1c[nH]c2ccccc12.
What is the InChIKey of 3-[1H-indol-3-yl(thiophen-2-yl)methylidene]indole?
The InChIKey is JDXNHZNBSZNXFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H14N2S/c1-3-8-18-14(6-1)16(12-22-18)21(20-10-5-11-24-20)17-13-23-19-9-4-2-7-15(17)19/h1-13,22H.
What are the key properties of 3-[1H-indol-3-yl(thiophen-2-yl)methylidene]indole?
3-[1H-indol-3-yl(thiophen-2-yl)methylidene]indole has a molecular weight of 326.42 g/mol, XLogP of 5.90, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1H-indol-3-yl(thiophen-2-yl)methylidene]indole is sourced from PubChem (CID 161408451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).