2-dibenzothiophen-4-yl-4-[3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenoxy]phenyl]-6-phenyl-1,3,5-triazine

C48H30N6OS — CID 155050305

About 2-dibenzothiophen-4-yl-4-[3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenoxy]phenyl]-6-phenyl-1,3,5-triazine

2-dibenzothiophen-4-yl-4-[3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenoxy]phenyl]-6-phenyl-1,3,5-triazine (PubChem CID 155050305) has the molecular formula C48H30N6OS and a molecular weight of 738.88 g/mol. Its IUPAC name is 2-dibenzothiophen-4-yl-4-[3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenoxy]phenyl]-6-phenyl-1,3,5-triazine.

Molecular Properties

• Compound Name: 2-dibenzothiophen-4-yl-4-[3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenoxy]phenyl]-6-phenyl-1,3,5-triazine
• PubChem CID: 155050305
• Molecular Formula: C48H30N6OS
• Molecular Weight: 738.88 g/mol
• Exact Mass: 738.22
• IUPAC Name: 2-dibenzothiophen-4-yl-4-[3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenoxy]phenyl]-6-phenyl-1,3,5-triazine
• SMILES: c1ccc(-c2nc(-c3ccccc3)nc(-c3cccc(Oc4cccc(-c5nc(-c6ccccc6)nc(-c6cccc7c6sc6ccccc67)n5)c4)c3)n2)cc1
• InChI: InChI=1S/C48H30N6OS/c1-4-15-31(16-5-1)43-49-44(32-17-6-2-7-18-32)51-46(50-43)34-21-12-23-36(29-34)55-37-24-13-22-35(30-37)47-52-45(33-19-8-3-9-20-33)53-48(54-47)40-27-14-26-39-38-25-10-11-28-41(38)56-42(39)40/h1-30H
• InChIKey: WOXMCVZWYWAYQD-UHFFFAOYSA-N
• XLogP: 12.22
• TPSA: 86.57 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 8
• Heavy Atoms: 56
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	738.88
LogP ≤ 5	12.22
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 2-dibenzothiophen-4-yl-4-[3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenoxy]phenyl]-6-phenyl-1,3,5-triazine?

The IUPAC name of 2-dibenzothiophen-4-yl-4-[3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenoxy]phenyl]-6-phenyl-1,3,5-triazine (CID 155050305) is 2-dibenzothiophen-4-yl-4-[3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenoxy]phenyl]-6-phenyl-1,3,5-triazine.

What is the SMILES notation for 2-dibenzothiophen-4-yl-4-[3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenoxy]phenyl]-6-phenyl-1,3,5-triazine?

The canonical SMILES for 2-dibenzothiophen-4-yl-4-[3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenoxy]phenyl]-6-phenyl-1,3,5-triazine is c1ccc(-c2nc(-c3ccccc3)nc(-c3cccc(Oc4cccc(-c5nc(-c6ccccc6)nc(-c6cccc7c6sc6ccccc67)n5)c4)c3)n2)cc1.

What is the InChIKey of 2-dibenzothiophen-4-yl-4-[3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenoxy]phenyl]-6-phenyl-1,3,5-triazine?

The InChIKey is WOXMCVZWYWAYQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H30N6OS/c1-4-15-31(16-5-1)43-49-44(32-17-6-2-7-18-32)51-46(50-43)34-21-12-23-36(29-34)55-37-24-13-22-35(30-37)47-52-45(33-19-8-3-9-20-33)53-48(54-47)40-27-14-26-39-38-25-10-11-28-41(38)56-42(39)40/h1-30H.

What are the key properties of 2-dibenzothiophen-4-yl-4-[3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenoxy]phenyl]-6-phenyl-1,3,5-triazine?

2-dibenzothiophen-4-yl-4-[3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenoxy]phenyl]-6-phenyl-1,3,5-triazine has a molecular weight of 738.88 g/mol, XLogP of 12.22, 8 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 2-dibenzothiophen-4-yl-4-[3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenoxy]phenyl]-6-phenyl-1,3,5-triazine is sourced from PubChem (CID 155050305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).