2-chloro-8-dibenzothiophen-2-yldibenzofuran

C24H13ClOS — CID 147232999

IUPAC2-chloro-8-dibenzothiophen-2-yldibenzofuran
SMILESClc1ccc2oc3ccc(-c4ccc5sc6ccccc6c5c4)cc3c2c1
InChIInChI=1S/C24H13ClOS/c25-16-7-9-22-19(13-16)18-11-14(5-8-21(18)26-22)15-6-10-24-20(12-15)17-3-1-2-4-23(17)27-24/h1-13H
InChIKeyCJGXXGXMBZSAIH-UHFFFAOYSA-N
MW384.89 g/mol
LogP8.27
Rot. Bonds1

About 2-chloro-8-dibenzothiophen-2-yldibenzofuran

2-chloro-8-dibenzothiophen-2-yldibenzofuran (PubChem CID 147232999) has the molecular formula C24H13ClOS and a molecular weight of 384.89 g/mol. Its IUPAC name is 2-chloro-8-dibenzothiophen-2-yldibenzofuran.

Molecular Properties

Compound Name2-chloro-8-dibenzothiophen-2-yldibenzofuran
PubChem CID147232999
Molecular FormulaC24H13ClOS
Molecular Weight384.89 g/mol
Exact Mass384.04
IUPAC Name2-chloro-8-dibenzothiophen-2-yldibenzofuran
SMILESClc1ccc2oc3ccc(-c4ccc5sc6ccccc6c5c4)cc3c2c1
InChIInChI=1S/C24H13ClOS/c25-16-7-9-22-19(13-16)18-11-14(5-8-21(18)26-22)15-6-10-24-20(12-15)17-3-1-2-4-23(17)27-24/h1-13H
InChIKeyCJGXXGXMBZSAIH-UHFFFAOYSA-N
XLogP8.27
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500384.89
LogP ≤ 58.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(8-dibenzothiophen-2-yldibenzothiophen-2-yl)dibenzofuran
CID 137466525
2-[3-[3-[3-[3-[3-[3-(3-dibenzothiophen-2-ylphenyl)phenyl]phenyl]phenyl]phenyl]phenyl]phenyl]dibenzofuran
CID 90265513
2-(8-chlorodibenzothiophen-2-yl)dibenzofuran;1-chloro-8-dibenzothiophen-2-yldibenzothiophene;2-chloro-8-dibenzothiophen-2-yldibenzothiophene;6-chloro-2-dibenzothiophen-2-yldibenzothiophene
CID 158314932
7-bromo-2-dibenzothiophen-2-yldibenzofuran
CID 170101109
4-dibenzofuran-2-yl-N,N-bis(4-dibenzothiophen-2-ylphenyl)aniline;4-dibenzothiophen-2-yl-N,N-bis(4-dibenzothiophen-2-ylphenyl)aniline
CID 157275659
3-chloro-6-dibenzofuran-2-yl-9-phenylcarbazole;3-chloro-6-dibenzothiophen-2-yl-9-phenylcarbazole;5-chloro-3-dibenzothiophen-2-yl-9-phenylcarbazole
CID 159391459
2-dibenzofuran-2-yl-6-(8-dibenzothiophen-2-yldibenzothiophen-2-yl)pyridine
CID 137466524
7-dibenzothiophen-2-yl-10,16-dioxahexacyclo[11.11.0.03,11.04,9.015,23.017,22]tetracosa-1(24),2,4(9),5,7,11,13,15(23),17,19,21-undecaene
CID 153303323
2-(8-bromodibenzothiophen-2-yl)dibenzofuran
CID 146301047
5-(3-dibenzofuran-2-yl-5-dibenzothiophen-2-ylphenyl)benzene-1,3-dicarbonitrile
CID 146355100
3-dibenzofuran-2-yl-6-dibenzothiophen-2-yl-9-phenylcarbazole
CID 122451698
2-dibenzothiophen-2-yl-4-phenyl-6-(8-phenyldibenzofuran-3-yl)-1,3,5-triazine
CID 171597424

Frequently Asked Questions

What is the IUPAC name of 2-chloro-8-dibenzothiophen-2-yldibenzofuran?
The IUPAC name of 2-chloro-8-dibenzothiophen-2-yldibenzofuran (CID 147232999) is 2-chloro-8-dibenzothiophen-2-yldibenzofuran.
What is the SMILES notation for 2-chloro-8-dibenzothiophen-2-yldibenzofuran?
The canonical SMILES for 2-chloro-8-dibenzothiophen-2-yldibenzofuran is Clc1ccc2oc3ccc(-c4ccc5sc6ccccc6c5c4)cc3c2c1.
What is the InChIKey of 2-chloro-8-dibenzothiophen-2-yldibenzofuran?
The InChIKey is CJGXXGXMBZSAIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H13ClOS/c25-16-7-9-22-19(13-16)18-11-14(5-8-21(18)26-22)15-6-10-24-20(12-15)17-3-1-2-4-23(17)27-24/h1-13H.
What are the key properties of 2-chloro-8-dibenzothiophen-2-yldibenzofuran?
2-chloro-8-dibenzothiophen-2-yldibenzofuran has a molecular weight of 384.89 g/mol, XLogP of 8.27, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-8-dibenzothiophen-2-yldibenzofuran is sourced from PubChem (CID 147232999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).