7-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-pyridin-2-ylbenzo[e][1,3]benzothiazole

C31H19N5S — CID 138633592

IUPAC7-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-pyridin-2-ylbenzo[e][1,3]benzothiazole
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-c3ccc4c(ccc5sc(-c6ccccn6)nc54)c3)n2)cc1
InChIInChI=1S/C31H19N5S/c1-3-9-20(10-4-1)28-34-29(21-11-5-2-6-12-21)36-30(35-28)23-14-16-24-22(19-23)15-17-26-27(24)33-31(37-26)25-13-7-8-18-32-25/h1-19H
InChIKeyRHEVUNJAPBXKAE-UHFFFAOYSA-N
MW493.60 g/mol
LogP7.70
Rot. Bonds4

About 7-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-pyridin-2-ylbenzo[e][1,3]benzothiazole

7-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-pyridin-2-ylbenzo[e][1,3]benzothiazole (PubChem CID 138633592) has the molecular formula C31H19N5S and a molecular weight of 493.60 g/mol. Its IUPAC name is 7-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-pyridin-2-ylbenzo[e][1,3]benzothiazole.

Molecular Properties

Compound Name7-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-pyridin-2-ylbenzo[e][1,3]benzothiazole
PubChem CID138633592
Molecular FormulaC31H19N5S
Molecular Weight493.60 g/mol
Exact Mass493.14
IUPAC Name7-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-pyridin-2-ylbenzo[e][1,3]benzothiazole
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-c3ccc4c(ccc5sc(-c6ccccn6)nc54)c3)n2)cc1
InChIInChI=1S/C31H19N5S/c1-3-9-20(10-4-1)28-34-29(21-11-5-2-6-12-21)36-30(35-28)23-14-16-24-22(19-23)15-17-26-27(24)33-31(37-26)25-13-7-8-18-32-25/h1-19H
InChIKeyRHEVUNJAPBXKAE-UHFFFAOYSA-N
XLogP7.70
TPSA64.45 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500493.60
LogP ≤ 57.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 7-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-pyridin-2-ylbenzo[e][1,3]benzothiazole with MolForge

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Related Compounds

2-phenyl-4-(4-phenylphenyl)-6-[8-(6-pyridin-2-yl-3-pyridinyl)dibenzothiophen-2-yl]-1,3,5-triazine
CID 134380771
2-naphthalen-2-yl-4-phenyl-6-[3-phenyl-5-(4-pyridin-2-ylphenyl)phenyl]-1,3,5-triazine
CID 122543044
2-phenyl-4-(4-pyridin-2-ylphenyl)-6-(16-thiahexacyclo[12.11.0.02,7.08,13.015,23.017,22]pentacosa-1(14),2(7),3,5,8,10,12,15(23),17,19,21,24-dodecaen-5-yl)-1,3,5-triazine
CID 149174892
2-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-2-yl]-1,3-benzothiazole
CID 134237425
2-phenyl-4-(4-pyridin-2-ylphenyl)-6-(4-triphenylen-2-ylphenyl)-1,3,5-triazine
CID 130265192
4,6-dimethyl-2-pyridin-2-yl-1,3-benzothiazole
CID 57387521
2-[3-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]-[1]benzothiolo[3,2-e][1,3]benzothiazole
CID 171411374
2-phenyl-7-[3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]benzo[g][1,3]benzothiazole
CID 138633562
7-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-naphthalen-1-ylbenzo[g][1,3]benzothiazole
CID 138636119
2-phenyl-5-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-1,3-benzothiazole
CID 153310249
6-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-2-yl]-2-phenyl-1,3-benzothiazole
CID 153310078
2-phenyl-4-(4-phenylphenyl)-6-[6-(5-pyridin-2-yl-2-pyridinyl)anthracen-2-yl]-1,3,5-triazine
CID 134380990

Frequently Asked Questions

What is the IUPAC name of 7-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-pyridin-2-ylbenzo[e][1,3]benzothiazole?
The IUPAC name of 7-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-pyridin-2-ylbenzo[e][1,3]benzothiazole (CID 138633592) is 7-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-pyridin-2-ylbenzo[e][1,3]benzothiazole.
What is the SMILES notation for 7-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-pyridin-2-ylbenzo[e][1,3]benzothiazole?
The canonical SMILES for 7-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-pyridin-2-ylbenzo[e][1,3]benzothiazole is c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc4c(ccc5sc(-c6ccccn6)nc54)c3)n2)cc1.
What is the InChIKey of 7-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-pyridin-2-ylbenzo[e][1,3]benzothiazole?
The InChIKey is RHEVUNJAPBXKAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H19N5S/c1-3-9-20(10-4-1)28-34-29(21-11-5-2-6-12-21)36-30(35-28)23-14-16-24-22(19-23)15-17-26-27(24)33-31(37-26)25-13-7-8-18-32-25/h1-19H.
What are the key properties of 7-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-pyridin-2-ylbenzo[e][1,3]benzothiazole?
7-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-pyridin-2-ylbenzo[e][1,3]benzothiazole has a molecular weight of 493.60 g/mol, XLogP of 7.70, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-pyridin-2-ylbenzo[e][1,3]benzothiazole is sourced from PubChem (CID 138633592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).