6-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-2-yl]-2-phenyl-1,3-benzothiazole

C38H24N4S — CID 153310078

IUPAC6-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-2-yl]-2-phenyl-1,3-benzothiazole
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-c3ccc4cc(-c5ccc6nc(-c7ccccc7)sc6c5)ccc4c3)n2)cc1
InChIInChI=1S/C38H24N4S/c1-4-10-25(11-5-1)35-40-36(26-12-6-2-7-13-26)42-37(41-35)32-19-18-28-22-29(16-17-30(28)23-32)31-20-21-33-34(24-31)43-38(39-33)27-14-8-3-9-15-27/h1-24H
InChIKeyWKUHKCDUSIZBGP-UHFFFAOYSA-N
MW568.71 g/mol
LogP9.97
Rot. Bonds5

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

6-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-2-yl]-2-phenyl-1,3-benzothiazole (PubChem CID 153310078) has the molecular formula C38H24N4S and a molecular weight of 568.71 g/mol. Its IUPAC name is 6-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-2-yl]-2-phenyl-1,3-benzothiazole.

Molecular Properties

Compound Name6-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-2-yl]-2-phenyl-1,3-benzothiazole
PubChem CID153310078
Molecular FormulaC38H24N4S
Molecular Weight568.71 g/mol
Exact Mass568.17
IUPAC Name6-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-2-yl]-2-phenyl-1,3-benzothiazole
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-c3ccc4cc(-c5ccc6nc(-c7ccccc7)sc6c5)ccc4c3)n2)cc1
InChIInChI=1S/C38H24N4S/c1-4-10-25(11-5-1)35-40-36(26-12-6-2-7-13-26)42-37(41-35)32-19-18-28-22-29(16-17-30(28)23-32)31-20-21-33-34(24-31)43-38(39-33)27-14-8-3-9-15-27/h1-24H
InChIKeyWKUHKCDUSIZBGP-UHFFFAOYSA-N
XLogP9.97
TPSA51.56 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500568.71
LogP ≤ 59.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 6-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-2-yl]-2-phenyl-1,3-benzothiazole with MolForge

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Related Compounds

2-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-2-yl]-1,3-benzothiazole
CID 134237425
2-phenyl-6-[4-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]phenyl]-1,3-benzothiazole
CID 153310133
2-[4-[4,6-bis(3-naphthalen-2-ylphenyl)-1,3,5-triazin-2-yl]phenyl]-1,3-benzothiazole
CID 70829910
6-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]-2-phenyl-1,3-benzothiazole
CID 147316036
2-phenyl-6-[4-phenyl-6-(3-phenylphenyl)pyrimidin-2-yl]-1,3-benzothiazole
CID 170681628
2-phenyl-5-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-1,3-benzothiazole
CID 153310249
2-[3-(1,3-benzothiazol-2-yl)-5-[4-(3,5-diphenylphenyl)-6-(3-naphthalen-2-ylphenyl)-1,3,5-triazin-2-yl]phenyl]-1,3-benzothiazole
CID 176740318
2-phenyl-5-[4-(4-phenylphenyl)-6-[3-(3-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]-1,3-benzothiazole
CID 170681601
2-[3-(1,3-benzothiazol-2-yl)-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-1,3-benzothiazole
CID 176740300
2-phenyl-5-[4-phenyl-6-(6-phenylnaphthalen-2-yl)-1,3,5-triazin-2-yl]-[1]benzothiolo[3,2-f][1,3]benzothiazole
CID 171456417
2-phenyl-7-[3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]benzo[g][1,3]benzothiazole
CID 138633562
2-[3-(4-phenylphenyl)phenyl]-5-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]-1,3-benzothiazole
CID 147771386

Frequently Asked Questions

What is the IUPAC name of 6-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-2-yl]-2-phenyl-1,3-benzothiazole?
The IUPAC name of 6-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-2-yl]-2-phenyl-1,3-benzothiazole (CID 153310078) is 6-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-2-yl]-2-phenyl-1,3-benzothiazole.
What is the SMILES notation for 6-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-2-yl]-2-phenyl-1,3-benzothiazole?
The canonical SMILES for 6-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-2-yl]-2-phenyl-1,3-benzothiazole is c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc4cc(-c5ccc6nc(-c7ccccc7)sc6c5)ccc4c3)n2)cc1.
What is the InChIKey of 6-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-2-yl]-2-phenyl-1,3-benzothiazole?
The InChIKey is WKUHKCDUSIZBGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H24N4S/c1-4-10-25(11-5-1)35-40-36(26-12-6-2-7-13-26)42-37(41-35)32-19-18-28-22-29(16-17-30(28)23-32)31-20-21-33-34(24-31)43-38(39-33)27-14-8-3-9-15-27/h1-24H.
What are the key properties of 6-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-2-yl]-2-phenyl-1,3-benzothiazole?
6-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-2-yl]-2-phenyl-1,3-benzothiazole has a molecular weight of 568.71 g/mol, XLogP of 9.97, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-2-yl]-2-phenyl-1,3-benzothiazole is sourced from PubChem (CID 153310078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).