4,7-diphenyl-1,2,3-benzothiadiazole

C18H12N2S — CID 168679919

IUPAC4,7-diphenyl-1,2,3-benzothiadiazole
SMILESc1ccc(-c2ccc(-c3ccccc3)c3snnc23)cc1
InChIInChI=1S/C18H12N2S/c1-3-7-13(8-4-1)15-11-12-16(14-9-5-2-6-10-14)18-17(15)19-20-21-18/h1-12H
InChIKeyNGSXPMXHEBYKQB-UHFFFAOYSA-N
MW288.38 g/mol
LogP5.03
Rot. Bonds2

About 4,7-diphenyl-1,2,3-benzothiadiazole

4,7-diphenyl-1,2,3-benzothiadiazole (PubChem CID 168679919) has the molecular formula C18H12N2S and a molecular weight of 288.38 g/mol. Its IUPAC name is 4,7-diphenyl-1,2,3-benzothiadiazole.

Molecular Properties

Compound Name4,7-diphenyl-1,2,3-benzothiadiazole
PubChem CID168679919
Molecular FormulaC18H12N2S
Molecular Weight288.38 g/mol
Exact Mass288.07
IUPAC Name4,7-diphenyl-1,2,3-benzothiadiazole
SMILESc1ccc(-c2ccc(-c3ccccc3)c3snnc23)cc1
InChIInChI=1S/C18H12N2S/c1-3-7-13(8-4-1)15-11-12-16(14-9-5-2-6-10-14)18-17(15)19-20-21-18/h1-12H
InChIKeyNGSXPMXHEBYKQB-UHFFFAOYSA-N
XLogP5.03
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500288.38
LogP ≤ 55.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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2-(4-phenylthiadiazol-5-yl)isoindole-1,3-dione
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4,7,13,16,22,25-hexakis-phenyl-2,9,11,18,20,27-hexazaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.021,26]heptacosa-1(27),3,5,7,9,12,14,16,18,21,23,25-dodecaene
CID 59837017
5-(bromomethyl)-4-phenylthiadiazole
CID 5325800
5-methylsulfanyl-4-phenylthiadiazole
CID 1473996
1,4-diphenyldibenzothiophene
CID 145331773
7-phenylthieno[2,3-b]pyrazine
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2-[4,7-bis(4-fluorophenyl)-1,3-benzothiazol-2-yl]phenol
CID 138712026
1,1'-biphenyl;λ2-stannane;dihydrochloride
CID 173025942
3-[9-(2-hydroxy-5-phenylthiophen-3-yl)-4,7-diphenyl-1,10-phenanthrolin-2-yl]-5-phenylthiophen-2-ol;platinum
CID 135975702

Frequently Asked Questions

What is the IUPAC name of 4,7-diphenyl-1,2,3-benzothiadiazole?
The IUPAC name of 4,7-diphenyl-1,2,3-benzothiadiazole (CID 168679919) is 4,7-diphenyl-1,2,3-benzothiadiazole.
What is the SMILES notation for 4,7-diphenyl-1,2,3-benzothiadiazole?
The canonical SMILES for 4,7-diphenyl-1,2,3-benzothiadiazole is c1ccc(-c2ccc(-c3ccccc3)c3snnc23)cc1.
What is the InChIKey of 4,7-diphenyl-1,2,3-benzothiadiazole?
The InChIKey is NGSXPMXHEBYKQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12N2S/c1-3-7-13(8-4-1)15-11-12-16(14-9-5-2-6-10-14)18-17(15)19-20-21-18/h1-12H.
What are the key properties of 4,7-diphenyl-1,2,3-benzothiadiazole?
4,7-diphenyl-1,2,3-benzothiadiazole has a molecular weight of 288.38 g/mol, XLogP of 5.03, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,7-diphenyl-1,2,3-benzothiadiazole is sourced from PubChem (CID 168679919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).