3-(6-dibenzothiophen-4-yldibenzofuran-4-yl)-9H-carbazole

C36H21NOS — CID 138622672

IUPAC3-(6-dibenzothiophen-4-yldibenzofuran-4-yl)-9H-carbazole
SMILESc1ccc2c(c1)[nH]c1ccc(-c3cccc4c3oc3c(-c5cccc6c5sc5ccccc56)cccc34)cc12
InChIInChI=1S/C36H21NOS/c1-3-16-31-23(8-1)30-20-21(18-19-32(30)37-31)22-10-5-11-25-26-12-6-13-27(35(26)38-34(22)25)29-15-7-14-28-24-9-2-4-17-33(24)39-36(28)29/h1-20,37H
InChIKeyBEKZFDUUDXXXSJ-UHFFFAOYSA-N
MW515.64 g/mol
LogP10.92
Rot. Bonds2

About 3-(6-dibenzothiophen-4-yldibenzofuran-4-yl)-9H-carbazole

3-(6-dibenzothiophen-4-yldibenzofuran-4-yl)-9H-carbazole (PubChem CID 138622672) has the molecular formula C36H21NOS and a molecular weight of 515.64 g/mol. Its IUPAC name is 3-(6-dibenzothiophen-4-yldibenzofuran-4-yl)-9H-carbazole.

Molecular Properties

Compound Name3-(6-dibenzothiophen-4-yldibenzofuran-4-yl)-9H-carbazole
PubChem CID138622672
Molecular FormulaC36H21NOS
Molecular Weight515.64 g/mol
Exact Mass515.13
IUPAC Name3-(6-dibenzothiophen-4-yldibenzofuran-4-yl)-9H-carbazole
SMILESc1ccc2c(c1)[nH]c1ccc(-c3cccc4c3oc3c(-c5cccc6c5sc5ccccc56)cccc34)cc12
InChIInChI=1S/C36H21NOS/c1-3-16-31-23(8-1)30-20-21(18-19-32(30)37-31)22-10-5-11-25-26-12-6-13-27(35(26)38-34(22)25)29-15-7-14-28-24-9-2-4-17-33(24)39-36(28)29/h1-20,37H
InChIKeyBEKZFDUUDXXXSJ-UHFFFAOYSA-N
XLogP10.92
TPSA28.93 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500515.64
LogP ≤ 510.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3-(6-dibenzothiophen-4-yldibenzofuran-4-yl)-9H-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 3-(6-dibenzothiophen-4-yldibenzofuran-4-yl)-9H-carbazole?
The IUPAC name of 3-(6-dibenzothiophen-4-yldibenzofuran-4-yl)-9H-carbazole (CID 138622672) is 3-(6-dibenzothiophen-4-yldibenzofuran-4-yl)-9H-carbazole.
What is the SMILES notation for 3-(6-dibenzothiophen-4-yldibenzofuran-4-yl)-9H-carbazole?
The canonical SMILES for 3-(6-dibenzothiophen-4-yldibenzofuran-4-yl)-9H-carbazole is c1ccc2c(c1)[nH]c1ccc(-c3cccc4c3oc3c(-c5cccc6c5sc5ccccc56)cccc34)cc12.
What is the InChIKey of 3-(6-dibenzothiophen-4-yldibenzofuran-4-yl)-9H-carbazole?
The InChIKey is BEKZFDUUDXXXSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H21NOS/c1-3-16-31-23(8-1)30-20-21(18-19-32(30)37-31)22-10-5-11-25-26-12-6-13-27(35(26)38-34(22)25)29-15-7-14-28-24-9-2-4-17-33(24)39-36(28)29/h1-20,37H.
What are the key properties of 3-(6-dibenzothiophen-4-yldibenzofuran-4-yl)-9H-carbazole?
3-(6-dibenzothiophen-4-yldibenzofuran-4-yl)-9H-carbazole has a molecular weight of 515.64 g/mol, XLogP of 10.92, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6-dibenzothiophen-4-yldibenzofuran-4-yl)-9H-carbazole is sourced from PubChem (CID 138622672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).