4-chloro-2-naphthalen-2-yl-[1]benzofuro[3,2-f][1,3]benzothiazole

C23H12ClNOS — CID 167130249

IUPAC4-chloro-2-naphthalen-2-yl-[1]benzofuro[3,2-f][1,3]benzothiazole
SMILESClc1c2nc(-c3ccc4ccccc4c3)sc2cc2oc3ccccc3c12
InChIInChI=1S/C23H12ClNOS/c24-21-20-16-7-3-4-8-17(16)26-18(20)12-19-22(21)25-23(27-19)15-10-9-13-5-1-2-6-14(13)11-15/h1-12H
InChIKeyGVIIUVIKHVHSJZ-UHFFFAOYSA-N
MW385.88 g/mol
LogP7.67
Rot. Bonds1

About 4-chloro-2-naphthalen-2-yl-[1]benzofuro[3,2-f][1,3]benzothiazole

4-chloro-2-naphthalen-2-yl-[1]benzofuro[3,2-f][1,3]benzothiazole (PubChem CID 167130249) has the molecular formula C23H12ClNOS and a molecular weight of 385.88 g/mol. Its IUPAC name is 4-chloro-2-naphthalen-2-yl-[1]benzofuro[3,2-f][1,3]benzothiazole.

Molecular Properties

Compound Name4-chloro-2-naphthalen-2-yl-[1]benzofuro[3,2-f][1,3]benzothiazole
PubChem CID167130249
Molecular FormulaC23H12ClNOS
Molecular Weight385.88 g/mol
Exact Mass385.03
IUPAC Name4-chloro-2-naphthalen-2-yl-[1]benzofuro[3,2-f][1,3]benzothiazole
SMILESClc1c2nc(-c3ccc4ccccc4c3)sc2cc2oc3ccccc3c12
InChIInChI=1S/C23H12ClNOS/c24-21-20-16-7-3-4-8-17(16)26-18(20)12-19-22(21)25-23(27-19)15-10-9-13-5-1-2-6-14(13)11-15/h1-12H
InChIKeyGVIIUVIKHVHSJZ-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

4-chloro-2-naphthalen-2-yl-[1]benzofuro[3,2-f][1,3]benzoxazole
CID 167127543
2-(4-phenylphenyl)-4-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-[1]benzofuro[3,2-f][1,3]benzothiazole
CID 167127566
2-phenyl-4-[4-phenyl-6-(4-phenylnaphthalen-2-yl)-1,3,5-triazin-2-yl]-[1]benzofuro[3,2-f][1,3]benzothiazole
CID 167128038
4-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-2-naphthalen-2-yl-[1]benzofuro[2,3-f][1,3]benzothiazole
CID 167127665
2-naphthalen-2-yl-10-[4-naphthalen-2-yl-6-(1-phenylnaphthalen-2-yl)-1,3,5-triazin-2-yl]-[1]benzofuro[2,3-f][1,3]benzothiazole
CID 167130179
2-naphthalen-2-yl-4-[4-naphthalen-2-yl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]-[1]benzofuro[2,3-f][1,3]benzothiazole
CID 167130165
2-naphthalen-2-yl-4-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]-[1]benzofuro[2,3-f][1,3]benzothiazole
CID 167129012
2-naphthalen-2-yl-10-[4-phenanthren-9-yl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]-[1]benzofuro[2,3-f][1,3]benzothiazole
CID 167127363
N-(4-naphthalen-2-ylphenyl)-N-(3-phenylphenyl)-2-(4-phenylphenyl)-[1]benzofuro[3,2-e][1,3]benzothiazol-9-amine
CID 167123743
4-[4-naphthalen-2-yl-6-(4-naphthalen-2-ylphenyl)-1,3,5-triazin-2-yl]-2-phenyl-[1]benzofuro[2,3-f][1,3]benzothiazole
CID 167129015
10-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-2-yl]-2-phenyl-[1]benzofuro[2,3-f][1,3]benzothiazole
CID 167128791
2-naphthalen-2-yl-6-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)-[1]benzofuro[3,2-f][1,3]benzothiazole
CID 167128062

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-naphthalen-2-yl-[1]benzofuro[3,2-f][1,3]benzothiazole?
The IUPAC name of 4-chloro-2-naphthalen-2-yl-[1]benzofuro[3,2-f][1,3]benzothiazole (CID 167130249) is 4-chloro-2-naphthalen-2-yl-[1]benzofuro[3,2-f][1,3]benzothiazole.
What is the SMILES notation for 4-chloro-2-naphthalen-2-yl-[1]benzofuro[3,2-f][1,3]benzothiazole?
The canonical SMILES for 4-chloro-2-naphthalen-2-yl-[1]benzofuro[3,2-f][1,3]benzothiazole is Clc1c2nc(-c3ccc4ccccc4c3)sc2cc2oc3ccccc3c12.
What is the InChIKey of 4-chloro-2-naphthalen-2-yl-[1]benzofuro[3,2-f][1,3]benzothiazole?
The InChIKey is GVIIUVIKHVHSJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H12ClNOS/c24-21-20-16-7-3-4-8-17(16)26-18(20)12-19-22(21)25-23(27-19)15-10-9-13-5-1-2-6-14(13)11-15/h1-12H.
What are the key properties of 4-chloro-2-naphthalen-2-yl-[1]benzofuro[3,2-f][1,3]benzothiazole?
4-chloro-2-naphthalen-2-yl-[1]benzofuro[3,2-f][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 4-chloro-2-naphthalen-2-yl-[1]benzofuro[3,2-f][1,3]benzothiazole is sourced from PubChem (CID 167130249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).