8-chloro-2-naphthalen-1-yl-[1]benzofuro[2,3-g][1,3]benzothiazole

C23H12ClNOS — CID 170396344

IUPAC8-chloro-2-naphthalen-1-yl-[1]benzofuro[2,3-g][1,3]benzothiazole
SMILESClc1ccc2c(c1)oc1ccc3nc(-c4cccc5ccccc45)sc3c12
InChIInChI=1S/C23H12ClNOS/c24-14-8-9-17-20(12-14)26-19-11-10-18-22(21(17)19)27-23(25-18)16-7-3-5-13-4-1-2-6-15(13)16/h1-12H
InChIKeyFUJWQNCRQWNKLX-UHFFFAOYSA-N
MW385.88 g/mol
LogP7.67
Rot. Bonds1

About 8-chloro-2-naphthalen-1-yl-[1]benzofuro[2,3-g][1,3]benzothiazole

8-chloro-2-naphthalen-1-yl-[1]benzofuro[2,3-g][1,3]benzothiazole (PubChem CID 170396344) has the molecular formula C23H12ClNOS and a molecular weight of 385.88 g/mol. Its IUPAC name is 8-chloro-2-naphthalen-1-yl-[1]benzofuro[2,3-g][1,3]benzothiazole.

Molecular Properties

Compound Name8-chloro-2-naphthalen-1-yl-[1]benzofuro[2,3-g][1,3]benzothiazole
PubChem CID170396344
Molecular FormulaC23H12ClNOS
Molecular Weight385.88 g/mol
Exact Mass385.03
IUPAC Name8-chloro-2-naphthalen-1-yl-[1]benzofuro[2,3-g][1,3]benzothiazole
SMILESClc1ccc2c(c1)oc1ccc3nc(-c4cccc5ccccc45)sc3c12
InChIInChI=1S/C23H12ClNOS/c24-14-8-9-17-20(12-14)26-19-11-10-18-22(21(17)19)27-23(25-18)16-7-3-5-13-4-1-2-6-15(13)16/h1-12H
InChIKeyFUJWQNCRQWNKLX-UHFFFAOYSA-N
XLogP7.67
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500385.88
LogP ≤ 57.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-naphthalen-1-ylphenyl)-2-phenyl-N-(4-phenylphenyl)-[1]benzofuro[2,3-g][1,3]benzothiazol-8-amine
CID 167124499
N-(4-naphthalen-1-yl-3-phenylphenyl)-2-phenyl-N-(4-phenylphenyl)-[1]benzofuro[2,3-g][1,3]benzothiazol-8-amine
CID 167123529
7-chloro-1-naphtho[1,2-b][1]benzothiol-7-yldibenzofuran
CID 174362886
7-chloro-2-naphthalen-1-yldibenzofuran
CID 171597258
N-(3-naphthalen-1-yl-4-phenylphenyl)-2-phenyl-N-(4-phenylphenyl)-[1]benzofuro[2,3-g][1,3]benzothiazol-9-amine
CID 170396079
2-(7-chlorodibenzofuran-1-yl)-4-(4-naphthalen-1-ylphenyl)-6-phenyl-1,3,5-triazine
CID 171587100
7-chloro-2-phenyl-[1]benzofuro[2,3-g][1,3]benzothiazole
CID 167123681
7-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-naphthalen-1-ylbenzo[g][1,3]benzothiazole
CID 138636119
N-(4-naphthalen-1-ylphenyl)-2-phenyl-N-[4-(2-phenyl-[1]benzofuro[2,3-g][1,3]benzothiazol-9-yl)phenyl]aniline
CID 167123156
2-[2-(4-dibenzofuran-1-yl-6-naphthalen-2-yl-1,3,5-triazin-2-yl)phenyl]benzo[g][1,3]benzothiazole
CID 163951664
N-[4-(2-phenyl-[1]benzofuro[2,3-g][1,3]benzothiazol-8-yl)phenyl]-N-(2-phenylphenyl)dibenzofuran-3-amine
CID 167124248
8-chloro-1-dibenzofuran-1-yldibenzofuran
CID 174292650

Frequently Asked Questions

What is the IUPAC name of 8-chloro-2-naphthalen-1-yl-[1]benzofuro[2,3-g][1,3]benzothiazole?
The IUPAC name of 8-chloro-2-naphthalen-1-yl-[1]benzofuro[2,3-g][1,3]benzothiazole (CID 170396344) is 8-chloro-2-naphthalen-1-yl-[1]benzofuro[2,3-g][1,3]benzothiazole.
What is the SMILES notation for 8-chloro-2-naphthalen-1-yl-[1]benzofuro[2,3-g][1,3]benzothiazole?
The canonical SMILES for 8-chloro-2-naphthalen-1-yl-[1]benzofuro[2,3-g][1,3]benzothiazole is Clc1ccc2c(c1)oc1ccc3nc(-c4cccc5ccccc45)sc3c12.
What is the InChIKey of 8-chloro-2-naphthalen-1-yl-[1]benzofuro[2,3-g][1,3]benzothiazole?
The InChIKey is FUJWQNCRQWNKLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H12ClNOS/c24-14-8-9-17-20(12-14)26-19-11-10-18-22(21(17)19)27-23(25-18)16-7-3-5-13-4-1-2-6-15(13)16/h1-12H.
What are the key properties of 8-chloro-2-naphthalen-1-yl-[1]benzofuro[2,3-g][1,3]benzothiazole?
8-chloro-2-naphthalen-1-yl-[1]benzofuro[2,3-g][1,3]benzothiazole has a molecular weight of 385.88 g/mol, XLogP of 7.67, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-chloro-2-naphthalen-1-yl-[1]benzofuro[2,3-g][1,3]benzothiazole is sourced from PubChem (CID 170396344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).