6-chloro-2-dibenzothiophen-4-yl-[1]benzothiolo[3,2-f][1,3]benzoxazole

C25H12ClNOS2 — CID 171456524

IUPAC6-chloro-2-dibenzothiophen-4-yl-[1]benzothiolo[3,2-f][1,3]benzoxazole
SMILESClc1ccc2sc3cc4oc(-c5cccc6c5sc5ccccc56)nc4cc3c2c1
InChIInChI=1S/C25H12ClNOS2/c26-13-8-9-22-17(10-13)18-11-19-20(12-23(18)29-22)28-25(27-19)16-6-3-5-15-14-4-1-2-7-21(14)30-24(15)16/h1-12H
InChIKeyICMZIURHMKVNGX-UHFFFAOYSA-N
MW441.96 g/mol
LogP8.88
Rot. Bonds1

About 6-chloro-2-dibenzothiophen-4-yl-[1]benzothiolo[3,2-f][1,3]benzoxazole

6-chloro-2-dibenzothiophen-4-yl-[1]benzothiolo[3,2-f][1,3]benzoxazole (PubChem CID 171456524) has the molecular formula C25H12ClNOS2 and a molecular weight of 441.96 g/mol. Its IUPAC name is 6-chloro-2-dibenzothiophen-4-yl-[1]benzothiolo[3,2-f][1,3]benzoxazole.

Molecular Properties

Compound Name6-chloro-2-dibenzothiophen-4-yl-[1]benzothiolo[3,2-f][1,3]benzoxazole
PubChem CID171456524
Molecular FormulaC25H12ClNOS2
Molecular Weight441.96 g/mol
Exact Mass441.00
IUPAC Name6-chloro-2-dibenzothiophen-4-yl-[1]benzothiolo[3,2-f][1,3]benzoxazole
SMILESClc1ccc2sc3cc4oc(-c5cccc6c5sc5ccccc56)nc4cc3c2c1
InChIInChI=1S/C25H12ClNOS2/c26-13-8-9-22-17(10-13)18-11-19-20(12-23(18)29-22)28-25(27-19)16-6-3-5-15-14-4-1-2-7-21(14)30-24(15)16/h1-12H
InChIKeyICMZIURHMKVNGX-UHFFFAOYSA-N
XLogP8.88
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500441.96
LogP ≤ 58.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 6-chloro-2-dibenzothiophen-4-yl-[1]benzothiolo[3,2-f][1,3]benzoxazole 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

6-chloro-2-dibenzothiophen-4-yl-[1]benzofuro[3,2-f][1,3]benzoxazole
CID 167129328
2-[2-(2-dibenzothiophen-4-ylphenyl)phenyl]-1,3-benzoxazole
CID 67888381
2-dibenzothiophen-4-yl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-[1]benzofuro[3,2-f][1,3]benzoxazole
CID 170776704
2-[6-[4-(4-dibenzothiophen-3-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]dibenzothiophen-2-yl]-6-phenyl-1,3-benzoxazole
CID 155357200
N-dibenzofuran-3-yl-N-dibenzothiophen-2-yl-2-phenyl-[1]benzothiolo[3,2-f][1,3]benzoxazol-8-amine
CID 171456518
3,6-bis(6-methyl-1,3-benzoxazol-2-yl)dibenzothiophen-2-ol
CID 135841603
3-naphthalen-2-yl-N,4-diphenyl-N-[4-(2-phenyl-[1]benzothiolo[3,2-f][1,3]benzoxazol-8-yl)phenyl]aniline
CID 171455439
2-[3-[6-(4-dibenzothiophen-2-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzothiophen-2-yl]phenyl]-1,3-benzoxazole
CID 155357093
2-(8-chlorodibenzofuran-3-yl)-4-dibenzothiophen-4-yl-6-phenyl-1,3,5-triazine
CID 170399724
2-dibenzothiophen-4-yl-4-(4,6-diphenyl-1,3,5-triazin-2-yl)-[1]benzothiolo[3,2-f][1,3]benzoxazole
CID 171455432
2-(7-dibenzothiophen-4-ylnaphthalen-2-yl)-1,3-benzoxazole
CID 67888376
6-[dibenzothiophen-3-yl-(4-phenylphenyl)methyl]-2-phenyl-[1]benzothiolo[3,2-f][1,3]benzoxazole
CID 171455845

Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-dibenzothiophen-4-yl-[1]benzothiolo[3,2-f][1,3]benzoxazole?
The IUPAC name of 6-chloro-2-dibenzothiophen-4-yl-[1]benzothiolo[3,2-f][1,3]benzoxazole (CID 171456524) is 6-chloro-2-dibenzothiophen-4-yl-[1]benzothiolo[3,2-f][1,3]benzoxazole.
What is the SMILES notation for 6-chloro-2-dibenzothiophen-4-yl-[1]benzothiolo[3,2-f][1,3]benzoxazole?
The canonical SMILES for 6-chloro-2-dibenzothiophen-4-yl-[1]benzothiolo[3,2-f][1,3]benzoxazole is Clc1ccc2sc3cc4oc(-c5cccc6c5sc5ccccc56)nc4cc3c2c1.
What is the InChIKey of 6-chloro-2-dibenzothiophen-4-yl-[1]benzothiolo[3,2-f][1,3]benzoxazole?
The InChIKey is ICMZIURHMKVNGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H12ClNOS2/c26-13-8-9-22-17(10-13)18-11-19-20(12-23(18)29-22)28-25(27-19)16-6-3-5-15-14-4-1-2-7-21(14)30-24(15)16/h1-12H.
What are the key properties of 6-chloro-2-dibenzothiophen-4-yl-[1]benzothiolo[3,2-f][1,3]benzoxazole?
6-chloro-2-dibenzothiophen-4-yl-[1]benzothiolo[3,2-f][1,3]benzoxazole has a molecular weight of 441.96 g/mol, XLogP of 8.88, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-dibenzothiophen-4-yl-[1]benzothiolo[3,2-f][1,3]benzoxazole is sourced from PubChem (CID 171456524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).