6-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-phenyl-4-pyridin-3-yl-1,3-benzothiazole

C33H21N5S — CID 153310259

IUPAC6-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-phenyl-4-pyridin-3-yl-1,3-benzothiazole
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-c3cc(-c4cccnc4)c4nc(-c5ccccc5)sc4c3)n2)cc1
InChIInChI=1S/C33H21N5S/c1-4-11-22(12-5-1)30-36-31(23-13-6-2-7-14-23)38-32(37-30)26-19-27(25-17-10-18-34-21-25)29-28(20-26)39-33(35-29)24-15-8-3-9-16-24/h1-21H
InChIKeyHYKQEBLLLUSCCS-UHFFFAOYSA-N
MW519.63 g/mol
LogP8.21
Rot. Bonds5

About 6-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-phenyl-4-pyridin-3-yl-1,3-benzothiazole

6-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-phenyl-4-pyridin-3-yl-1,3-benzothiazole (PubChem CID 153310259) has the molecular formula C33H21N5S and a molecular weight of 519.63 g/mol. Its IUPAC name is 6-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-phenyl-4-pyridin-3-yl-1,3-benzothiazole.

Molecular Properties

Compound Name6-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-phenyl-4-pyridin-3-yl-1,3-benzothiazole
PubChem CID153310259
Molecular FormulaC33H21N5S
Molecular Weight519.63 g/mol
Exact Mass519.15
IUPAC Name6-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-phenyl-4-pyridin-3-yl-1,3-benzothiazole
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-c3cc(-c4cccnc4)c4nc(-c5ccccc5)sc4c3)n2)cc1
InChIInChI=1S/C33H21N5S/c1-4-11-22(12-5-1)30-36-31(23-13-6-2-7-14-23)38-32(37-30)26-19-27(25-17-10-18-34-21-25)29-28(20-26)39-33(35-29)24-15-8-3-9-16-24/h1-21H
InChIKeyHYKQEBLLLUSCCS-UHFFFAOYSA-N
XLogP8.21
TPSA64.45 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500519.63
LogP ≤ 58.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2,6-diphenyl-1,3-benzothiazole
CID 153310015
5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-pyridin-3-ylphenyl]-2-phenyl-1,3-benzothiazole
CID 147367577
4,6-bis[3-(4-ethylphenyl)phenyl]-2-(4-pyridin-3-ylphenyl)-1,3-benzothiazole
CID 145437093
4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-quinolin-8-ylphenyl]-2-phenyl-1,3-benzothiazole
CID 146964994
2-phenyl-4,6-bis(3-phenyl-5-pyridin-3-ylphenyl)-1,3,5-triazine
CID 118344700
4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-phenyl-1,3-benzothiazole
CID 148856781
4-[3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-2-phenyl-1,3-benzothiazole
CID 170681559
4,6-bis(4-dibenzofuran-4-ylphenyl)-2-pyridin-3-yl-1,3-benzothiazole
CID 137473715
2-(6-dibenzothiophen-2-yl-3-pyridinyl)-6-(3-phenylphenyl)-4-(3-pyridin-3-ylphenyl)-1,3-benzothiazole
CID 176760162
2-phenyl-4-(4-pyridin-3-ylphenyl)-6-[4-(3,4,5-triphenylphenyl)phenyl]-1,3,5-triazine
CID 171440364
2-[3,5-di(dibenzothiophen-2-yl)phenyl]-4-phenyl-6-(2-pyridin-3-ylphenyl)-1,3,5-triazine
CID 130262835
4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]-2-phenyl-1,3-benzothiazole
CID 153310227

Frequently Asked Questions

What is the IUPAC name of 6-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-phenyl-4-pyridin-3-yl-1,3-benzothiazole?
The IUPAC name of 6-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-phenyl-4-pyridin-3-yl-1,3-benzothiazole (CID 153310259) is 6-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-phenyl-4-pyridin-3-yl-1,3-benzothiazole.
What is the SMILES notation for 6-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-phenyl-4-pyridin-3-yl-1,3-benzothiazole?
The canonical SMILES for 6-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-phenyl-4-pyridin-3-yl-1,3-benzothiazole is c1ccc(-c2nc(-c3ccccc3)nc(-c3cc(-c4cccnc4)c4nc(-c5ccccc5)sc4c3)n2)cc1.
What is the InChIKey of 6-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-phenyl-4-pyridin-3-yl-1,3-benzothiazole?
The InChIKey is HYKQEBLLLUSCCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H21N5S/c1-4-11-22(12-5-1)30-36-31(23-13-6-2-7-14-23)38-32(37-30)26-19-27(25-17-10-18-34-21-25)29-28(20-26)39-33(35-29)24-15-8-3-9-16-24/h1-21H.
What are the key properties of 6-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-phenyl-4-pyridin-3-yl-1,3-benzothiazole?
6-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-phenyl-4-pyridin-3-yl-1,3-benzothiazole has a molecular weight of 519.63 g/mol, XLogP of 8.21, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-phenyl-4-pyridin-3-yl-1,3-benzothiazole is sourced from PubChem (CID 153310259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).