2-dibenzothiophen-4-yl-1-ethyl-6-methoxyindole-3-carbonitrile

C24H18N2OS — CID 58694182

IUPAC2-dibenzothiophen-4-yl-1-ethyl-6-methoxyindole-3-carbonitrile
SMILESCCn1c(-c2cccc3c2sc2ccccc23)c(C#N)c2ccc(OC)cc21
InChIInChI=1S/C24H18N2OS/c1-3-26-21-13-15(27-2)11-12-16(21)20(14-25)23(26)19-9-6-8-18-17-7-4-5-10-22(17)28-24(18)19/h4-13H,3H2,1-2H3
InChIKeyWKEGDMQRWUHZGA-UHFFFAOYSA-N
MW382.49 g/mol
LogP6.58
Rot. Bonds3

About 2-dibenzothiophen-4-yl-1-ethyl-6-methoxyindole-3-carbonitrile

2-dibenzothiophen-4-yl-1-ethyl-6-methoxyindole-3-carbonitrile (PubChem CID 58694182) has the molecular formula C24H18N2OS and a molecular weight of 382.49 g/mol. Its IUPAC name is 2-dibenzothiophen-4-yl-1-ethyl-6-methoxyindole-3-carbonitrile.

Molecular Properties

Compound Name2-dibenzothiophen-4-yl-1-ethyl-6-methoxyindole-3-carbonitrile
PubChem CID58694182
Molecular FormulaC24H18N2OS
Molecular Weight382.49 g/mol
Exact Mass382.11
IUPAC Name2-dibenzothiophen-4-yl-1-ethyl-6-methoxyindole-3-carbonitrile
SMILESCCn1c(-c2cccc3c2sc2ccccc23)c(C#N)c2ccc(OC)cc21
InChIInChI=1S/C24H18N2OS/c1-3-26-21-13-15(27-2)11-12-16(21)20(14-25)23(26)19-9-6-8-18-17-7-4-5-10-22(17)28-24(18)19/h4-13H,3H2,1-2H3
InChIKeyWKEGDMQRWUHZGA-UHFFFAOYSA-N
XLogP6.58
TPSA37.95 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500382.49
LogP ≤ 56.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-dibenzothiophen-4-yl-1-ethyl-6-methoxyindole-3-carbonitrile?
The IUPAC name of 2-dibenzothiophen-4-yl-1-ethyl-6-methoxyindole-3-carbonitrile (CID 58694182) is 2-dibenzothiophen-4-yl-1-ethyl-6-methoxyindole-3-carbonitrile.
What is the SMILES notation for 2-dibenzothiophen-4-yl-1-ethyl-6-methoxyindole-3-carbonitrile?
The canonical SMILES for 2-dibenzothiophen-4-yl-1-ethyl-6-methoxyindole-3-carbonitrile is CCn1c(-c2cccc3c2sc2ccccc23)c(C#N)c2ccc(OC)cc21.
What is the InChIKey of 2-dibenzothiophen-4-yl-1-ethyl-6-methoxyindole-3-carbonitrile?
The InChIKey is WKEGDMQRWUHZGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18N2OS/c1-3-26-21-13-15(27-2)11-12-16(21)20(14-25)23(26)19-9-6-8-18-17-7-4-5-10-22(17)28-24(18)19/h4-13H,3H2,1-2H3.
What are the key properties of 2-dibenzothiophen-4-yl-1-ethyl-6-methoxyindole-3-carbonitrile?
2-dibenzothiophen-4-yl-1-ethyl-6-methoxyindole-3-carbonitrile has a molecular weight of 382.49 g/mol, XLogP of 6.58, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-dibenzothiophen-4-yl-1-ethyl-6-methoxyindole-3-carbonitrile is sourced from PubChem (CID 58694182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).