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

C38H22N4OS — CID 167127109

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

5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-naphthalen-2-yl-[1]benzofuro[3,2-f][1,3]benzothiazole (PubChem CID 167127109) has the molecular formula C38H22N4OS and a molecular weight of 582.69 g/mol. Its IUPAC name is 5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-naphthalen-2-yl-[1]benzofuro[3,2-f][1,3]benzothiazole.

Molecular Properties

• Compound Name: 5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-naphthalen-2-yl-[1]benzofuro[3,2-f][1,3]benzothiazole
• PubChem CID: 167127109
• Molecular Formula: C38H22N4OS
• Molecular Weight: 582.69 g/mol
• Exact Mass: 582.15
• IUPAC Name: 5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-naphthalen-2-yl-[1]benzofuro[3,2-f][1,3]benzothiazole
• SMILES: c1ccc(-c2nc(-c3ccccc3)nc(-c3cccc4oc5cc6sc(-c7ccc8ccccc8c7)nc6cc5c34)n2)cc1
• InChI: InChI=1S/C38H22N4OS/c1-3-11-24(12-4-1)35-40-36(25-13-5-2-6-14-25)42-37(41-35)28-16-9-17-31-34(28)29-21-30-33(22-32(29)43-31)44-38(39-30)27-19-18-23-10-7-8-15-26(23)20-27/h1-22H
• InChIKey: PWGCMXUGSZQZPC-UHFFFAOYSA-N
• XLogP: 10.20
• TPSA: 64.70 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 44
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	582.69
LogP ≤ 5	10.20
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-naphthalen-2-yl-[1]benzofuro[3,2-f][1,3]benzothiazole?

The IUPAC name of 5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-naphthalen-2-yl-[1]benzofuro[3,2-f][1,3]benzothiazole (CID 167127109) is 5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-naphthalen-2-yl-[1]benzofuro[3,2-f][1,3]benzothiazole.

What is the SMILES notation for 5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-naphthalen-2-yl-[1]benzofuro[3,2-f][1,3]benzothiazole?

The canonical SMILES for 5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-naphthalen-2-yl-[1]benzofuro[3,2-f][1,3]benzothiazole is c1ccc(-c2nc(-c3ccccc3)nc(-c3cccc4oc5cc6sc(-c7ccc8ccccc8c7)nc6cc5c34)n2)cc1.

What is the InChIKey of 5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-naphthalen-2-yl-[1]benzofuro[3,2-f][1,3]benzothiazole?

The InChIKey is PWGCMXUGSZQZPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H22N4OS/c1-3-11-24(12-4-1)35-40-36(25-13-5-2-6-14-25)42-37(41-35)28-16-9-17-31-34(28)29-21-30-33(22-32(29)43-31)44-38(39-30)27-19-18-23-10-7-8-15-26(23)20-27/h1-22H.

What are the key properties of 5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-naphthalen-2-yl-[1]benzofuro[3,2-f][1,3]benzothiazole?

5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-naphthalen-2-yl-[1]benzofuro[3,2-f][1,3]benzothiazole has a molecular weight of 582.69 g/mol, XLogP of 10.20, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-naphthalen-2-yl-[1]benzofuro[3,2-f][1,3]benzothiazole is sourced from PubChem (CID 167127109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).