7-(2,3,6,7-tetrahydrodibenzothiophen-4-yl)-5,6,9,9a-tetrahydro-1H-carbazole

C24H23NS — CID 89183316

IUPAC7-(2,3,6,7-tetrahydrodibenzothiophen-4-yl)-5,6,9,9a-tetrahydro-1H-carbazole
SMILESC1=CCC2NC3=C(CCC(C4=c5sc6c(c5=CCC4)C=CCC6)=C3)C2=C1
InChIInChI=1S/C24H23NS/c1-3-10-21-17(6-1)18-13-12-15(14-22(18)25-21)16-8-5-9-20-19-7-2-4-11-23(19)26-24(16)20/h1-3,6-7,9,14,21,25H,4-5,8,10-13H2
InChIKeyIRQCVCJXSZSQLG-UHFFFAOYSA-N
MW357.52 g/mol
LogP4.26
Rot. Bonds1

About 7-(2,3,6,7-tetrahydrodibenzothiophen-4-yl)-5,6,9,9a-tetrahydro-1H-carbazole

7-(2,3,6,7-tetrahydrodibenzothiophen-4-yl)-5,6,9,9a-tetrahydro-1H-carbazole (PubChem CID 89183316) has the molecular formula C24H23NS and a molecular weight of 357.52 g/mol. Its IUPAC name is 7-(2,3,6,7-tetrahydrodibenzothiophen-4-yl)-5,6,9,9a-tetrahydro-1H-carbazole.

Molecular Properties

Compound Name7-(2,3,6,7-tetrahydrodibenzothiophen-4-yl)-5,6,9,9a-tetrahydro-1H-carbazole
PubChem CID89183316
Molecular FormulaC24H23NS
Molecular Weight357.52 g/mol
Exact Mass357.16
IUPAC Name7-(2,3,6,7-tetrahydrodibenzothiophen-4-yl)-5,6,9,9a-tetrahydro-1H-carbazole
SMILESC1=CCC2NC3=C(CCC(C4=c5sc6c(c5=CCC4)C=CCC6)=C3)C2=C1
InChIInChI=1S/C24H23NS/c1-3-10-21-17(6-1)18-13-12-15(14-22(18)25-21)16-8-5-9-20-19-7-2-4-11-23(19)26-24(16)20/h1-3,6-7,9,14,21,25H,4-5,8,10-13H2
InChIKeyIRQCVCJXSZSQLG-UHFFFAOYSA-N
XLogP4.26
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.52
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 7-(2,3,6,7-tetrahydrodibenzothiophen-4-yl)-5,6,9,9a-tetrahydro-1H-carbazole 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 7-(2,3,6,7-tetrahydrodibenzothiophen-4-yl)-5,6,9,9a-tetrahydro-1H-carbazole?
The IUPAC name of 7-(2,3,6,7-tetrahydrodibenzothiophen-4-yl)-5,6,9,9a-tetrahydro-1H-carbazole (CID 89183316) is 7-(2,3,6,7-tetrahydrodibenzothiophen-4-yl)-5,6,9,9a-tetrahydro-1H-carbazole.
What is the SMILES notation for 7-(2,3,6,7-tetrahydrodibenzothiophen-4-yl)-5,6,9,9a-tetrahydro-1H-carbazole?
The canonical SMILES for 7-(2,3,6,7-tetrahydrodibenzothiophen-4-yl)-5,6,9,9a-tetrahydro-1H-carbazole is C1=CCC2NC3=C(CCC(C4=c5sc6c(c5=CCC4)C=CCC6)=C3)C2=C1.
What is the InChIKey of 7-(2,3,6,7-tetrahydrodibenzothiophen-4-yl)-5,6,9,9a-tetrahydro-1H-carbazole?
The InChIKey is IRQCVCJXSZSQLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23NS/c1-3-10-21-17(6-1)18-13-12-15(14-22(18)25-21)16-8-5-9-20-19-7-2-4-11-23(19)26-24(16)20/h1-3,6-7,9,14,21,25H,4-5,8,10-13H2.
What are the key properties of 7-(2,3,6,7-tetrahydrodibenzothiophen-4-yl)-5,6,9,9a-tetrahydro-1H-carbazole?
7-(2,3,6,7-tetrahydrodibenzothiophen-4-yl)-5,6,9,9a-tetrahydro-1H-carbazole has a molecular weight of 357.52 g/mol, XLogP of 4.26, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(2,3,6,7-tetrahydrodibenzothiophen-4-yl)-5,6,9,9a-tetrahydro-1H-carbazole is sourced from PubChem (CID 89183316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).