2-[3-[3-(3-chlorophenyl)phenyl]phenyl]-1,3-benzothiazole

C25H16ClNS — CID 169291592

IUPAC2-[3-[3-(3-chlorophenyl)phenyl]phenyl]-1,3-benzothiazole
SMILESClc1cccc(-c2cccc(-c3cccc(-c4nc5ccccc5s4)c3)c2)c1
InChIInChI=1S/C25H16ClNS/c26-22-11-5-9-20(16-22)18-7-3-6-17(14-18)19-8-4-10-21(15-19)25-27-23-12-1-2-13-24(23)28-25/h1-16H
InChIKeyBJAMTUMBKQHFCB-UHFFFAOYSA-N
MW397.93 g/mol
LogP7.95
Rot. Bonds3

About 2-[3-[3-(3-chlorophenyl)phenyl]phenyl]-1,3-benzothiazole

2-[3-[3-(3-chlorophenyl)phenyl]phenyl]-1,3-benzothiazole (PubChem CID 169291592) has the molecular formula C25H16ClNS and a molecular weight of 397.93 g/mol. Its IUPAC name is 2-[3-[3-(3-chlorophenyl)phenyl]phenyl]-1,3-benzothiazole.

Molecular Properties

Compound Name2-[3-[3-(3-chlorophenyl)phenyl]phenyl]-1,3-benzothiazole
PubChem CID169291592
Molecular FormulaC25H16ClNS
Molecular Weight397.93 g/mol
Exact Mass397.07
IUPAC Name2-[3-[3-(3-chlorophenyl)phenyl]phenyl]-1,3-benzothiazole
SMILESClc1cccc(-c2cccc(-c3cccc(-c4nc5ccccc5s4)c3)c2)c1
InChIInChI=1S/C25H16ClNS/c26-22-11-5-9-20(16-22)18-7-3-6-17(14-18)19-8-4-10-21(15-19)25-27-23-12-1-2-13-24(23)28-25/h1-16H
InChIKeyBJAMTUMBKQHFCB-UHFFFAOYSA-N
XLogP7.95
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500397.93
LogP ≤ 57.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-[3-[3-(4-triphenylen-2-ylphenyl)phenyl]phenyl]-1,3-benzothiazole
CID 169291468
2-[3-(4-bromophenyl)-5-chlorophenyl]-1,3-benzothiazole
CID 156550838
2-[4-[3-(3-fluorophenyl)phenyl]phenyl]-1,3-benzothiazole
CID 171056559
2-[3-[10-[3-(2,3,4,5,6-pentakis-phenylphenyl)phenyl]anthracen-9-yl]phenyl]-1,3-benzothiazole
CID 155788382
iridium;bis(2-phenyl-1,3-benzothiazole)
CID 87517023
2-(3,4,5-trichlorophenyl)-1,3-benzothiazole
CID 50849600
2-[3-(1,3-benzothiazol-2-yl)-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-1,3-benzothiazole
CID 176740300
2-[4-(3-phenylphenyl)naphthalen-1-yl]-1,3-benzothiazole
CID 171056561
2-(4-bromo-3-chlorophenyl)-1,3-benzothiazole
CID 94675121
2-[3-(1,3-benzothiazol-2-yl)-5-bromophenyl]-1,3-benzothiazole
CID 139449990
1-[4-(1,3-benzothiazol-2-yl)phenyl]-3-(3-chlorophenyl)urea
CID 46381124
3-(5-chloro-1,3-benzothiazol-2-yl)phenol
CID 43087846

Frequently Asked Questions

What is the IUPAC name of 2-[3-[3-(3-chlorophenyl)phenyl]phenyl]-1,3-benzothiazole?
The IUPAC name of 2-[3-[3-(3-chlorophenyl)phenyl]phenyl]-1,3-benzothiazole (CID 169291592) is 2-[3-[3-(3-chlorophenyl)phenyl]phenyl]-1,3-benzothiazole.
What is the SMILES notation for 2-[3-[3-(3-chlorophenyl)phenyl]phenyl]-1,3-benzothiazole?
The canonical SMILES for 2-[3-[3-(3-chlorophenyl)phenyl]phenyl]-1,3-benzothiazole is Clc1cccc(-c2cccc(-c3cccc(-c4nc5ccccc5s4)c3)c2)c1.
What is the InChIKey of 2-[3-[3-(3-chlorophenyl)phenyl]phenyl]-1,3-benzothiazole?
The InChIKey is BJAMTUMBKQHFCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H16ClNS/c26-22-11-5-9-20(16-22)18-7-3-6-17(14-18)19-8-4-10-21(15-19)25-27-23-12-1-2-13-24(23)28-25/h1-16H.
What are the key properties of 2-[3-[3-(3-chlorophenyl)phenyl]phenyl]-1,3-benzothiazole?
2-[3-[3-(3-chlorophenyl)phenyl]phenyl]-1,3-benzothiazole has a molecular weight of 397.93 g/mol, XLogP of 7.95, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[3-(3-chlorophenyl)phenyl]phenyl]-1,3-benzothiazole is sourced from PubChem (CID 169291592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).