3-[(1-ethylpyridin-1-ium-3-yl)-(1H-indol-3-yl)methylidene]indole

C24H20N3+ — CID 158832849

IUPAC3-[(1-ethylpyridin-1-ium-3-yl)-(1H-indol-3-yl)methylidene]indole
SMILESCC[n+]1cccc(C(=C2C=Nc3ccccc32)c2c[nH]c3ccccc23)c1
InChIInChI=1S/C24H20N3/c1-2-27-13-7-8-17(16-27)24(20-14-25-22-11-5-3-9-18(20)22)21-15-26-23-12-6-4-10-19(21)23/h3-16,25H,2H2,1H3/q+1
InChIKeyAKQDOOCLRYBVNL-UHFFFAOYSA-N
MW350.45 g/mol
LogP5.15
Rot. Bonds3

About 3-[(1-ethylpyridin-1-ium-3-yl)-(1H-indol-3-yl)methylidene]indole

3-[(1-ethylpyridin-1-ium-3-yl)-(1H-indol-3-yl)methylidene]indole (PubChem CID 158832849) has the molecular formula C24H20N3+ and a molecular weight of 350.45 g/mol. Its IUPAC name is 3-[(1-ethylpyridin-1-ium-3-yl)-(1H-indol-3-yl)methylidene]indole.

Molecular Properties

Compound Name3-[(1-ethylpyridin-1-ium-3-yl)-(1H-indol-3-yl)methylidene]indole
PubChem CID158832849
Molecular FormulaC24H20N3+
Molecular Weight350.45 g/mol
Exact Mass350.17
IUPAC Name3-[(1-ethylpyridin-1-ium-3-yl)-(1H-indol-3-yl)methylidene]indole
SMILESCC[n+]1cccc(C(=C2C=Nc3ccccc32)c2c[nH]c3ccccc23)c1
InChIInChI=1S/C24H20N3/c1-2-27-13-7-8-17(16-27)24(20-14-25-22-11-5-3-9-18(20)22)21-15-26-23-12-6-4-10-19(21)23/h3-16,25H,2H2,1H3/q+1
InChIKeyAKQDOOCLRYBVNL-UHFFFAOYSA-N
XLogP5.15
TPSA32.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500350.45
LogP ≤ 55.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Analyze 3-[(1-ethylpyridin-1-ium-3-yl)-(1H-indol-3-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-[1H-indol-3-yl(thiophen-2-yl)methylidene]indole
CID 161408451
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
3-[(Z)-(3-bromophenyl)-indol-1-ium-3-ylidenemethyl]-1H-indole
CID 155772227
[4-hydroxy-5-(indol-3-ylidenemethyl)-1H-imidazol-2-yl]-(1H-indol-3-yl)methanone
CID 136691197
3-[1H-indol-3-yl-[4-(trifluoromethyl)phenyl]methylidene]-1-propylindol-1-ium
CID 159313072
(3Z)-3-[1H-indol-3-yl-[4-(trifluoromethyl)phenyl]methylidene]-1-propylindol-1-ium chloride
CID 164610260
2-bromo-1-(1H-indol-3-yl)ethanone
CID 11310936

Frequently Asked Questions

What is the IUPAC name of 3-[(1-ethylpyridin-1-ium-3-yl)-(1H-indol-3-yl)methylidene]indole?
The IUPAC name of 3-[(1-ethylpyridin-1-ium-3-yl)-(1H-indol-3-yl)methylidene]indole (CID 158832849) is 3-[(1-ethylpyridin-1-ium-3-yl)-(1H-indol-3-yl)methylidene]indole.
What is the SMILES notation for 3-[(1-ethylpyridin-1-ium-3-yl)-(1H-indol-3-yl)methylidene]indole?
The canonical SMILES for 3-[(1-ethylpyridin-1-ium-3-yl)-(1H-indol-3-yl)methylidene]indole is CC[n+]1cccc(C(=C2C=Nc3ccccc32)c2c[nH]c3ccccc23)c1.
What is the InChIKey of 3-[(1-ethylpyridin-1-ium-3-yl)-(1H-indol-3-yl)methylidene]indole?
The InChIKey is AKQDOOCLRYBVNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20N3/c1-2-27-13-7-8-17(16-27)24(20-14-25-22-11-5-3-9-18(20)22)21-15-26-23-12-6-4-10-19(21)23/h3-16,25H,2H2,1H3/q+1.
What are the key properties of 3-[(1-ethylpyridin-1-ium-3-yl)-(1H-indol-3-yl)methylidene]indole?
3-[(1-ethylpyridin-1-ium-3-yl)-(1H-indol-3-yl)methylidene]indole has a molecular weight of 350.45 g/mol, XLogP of 5.15, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1-ethylpyridin-1-ium-3-yl)-(1H-indol-3-yl)methylidene]indole is sourced from PubChem (CID 158832849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).