2-dibenzothiophen-4-yl-4-(4-naphthalen-2-ylphenyl)-6-[7-(3-phenylphenyl)naphthalen-1-yl]-1,3,5-triazine

C53H33N3S — CID 139441952

About 2-dibenzothiophen-4-yl-4-(4-naphthalen-2-ylphenyl)-6-[7-(3-phenylphenyl)naphthalen-1-yl]-1,3,5-triazine

2-dibenzothiophen-4-yl-4-(4-naphthalen-2-ylphenyl)-6-[7-(3-phenylphenyl)naphthalen-1-yl]-1,3,5-triazine (PubChem CID 139441952) has the molecular formula C53H33N3S and a molecular weight of 743.94 g/mol. Its IUPAC name is 2-dibenzothiophen-4-yl-4-(4-naphthalen-2-ylphenyl)-6-[7-(3-phenylphenyl)naphthalen-1-yl]-1,3,5-triazine.

Molecular Properties

• Compound Name: 2-dibenzothiophen-4-yl-4-(4-naphthalen-2-ylphenyl)-6-[7-(3-phenylphenyl)naphthalen-1-yl]-1,3,5-triazine
• PubChem CID: 139441952
• Molecular Formula: C53H33N3S
• Molecular Weight: 743.94 g/mol
• Exact Mass: 743.24
• IUPAC Name: 2-dibenzothiophen-4-yl-4-(4-naphthalen-2-ylphenyl)-6-[7-(3-phenylphenyl)naphthalen-1-yl]-1,3,5-triazine
• SMILES: c1ccc(-c2cccc(-c3ccc4cccc(-c5nc(-c6ccc(-c7ccc8ccccc8c7)cc6)nc(-c6cccc7c6sc6ccccc67)n5)c4c3)c2)cc1
• InChI: InChI=1S/C53H33N3S/c1-2-11-34(12-3-1)40-16-8-17-41(31-40)43-30-26-37-15-9-20-46(48(37)33-43)52-54-51(38-27-23-36(24-28-38)42-29-25-35-13-4-5-14-39(35)32-42)55-53(56-52)47-21-10-19-45-44-18-6-7-22-49(44)57-50(45)47/h1-33H
• InChIKey: GLODMSUIYUKUPP-UHFFFAOYSA-N
• XLogP: 14.55
• TPSA: 38.67 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 6
• Heavy Atoms: 57
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	743.94
LogP ≤ 5	14.55
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 2-dibenzothiophen-4-yl-4-(4-naphthalen-2-ylphenyl)-6-[7-(3-phenylphenyl)naphthalen-1-yl]-1,3,5-triazine?

The IUPAC name of 2-dibenzothiophen-4-yl-4-(4-naphthalen-2-ylphenyl)-6-[7-(3-phenylphenyl)naphthalen-1-yl]-1,3,5-triazine (CID 139441952) is 2-dibenzothiophen-4-yl-4-(4-naphthalen-2-ylphenyl)-6-[7-(3-phenylphenyl)naphthalen-1-yl]-1,3,5-triazine.

What is the SMILES notation for 2-dibenzothiophen-4-yl-4-(4-naphthalen-2-ylphenyl)-6-[7-(3-phenylphenyl)naphthalen-1-yl]-1,3,5-triazine?

The canonical SMILES for 2-dibenzothiophen-4-yl-4-(4-naphthalen-2-ylphenyl)-6-[7-(3-phenylphenyl)naphthalen-1-yl]-1,3,5-triazine is c1ccc(-c2cccc(-c3ccc4cccc(-c5nc(-c6ccc(-c7ccc8ccccc8c7)cc6)nc(-c6cccc7c6sc6ccccc67)n5)c4c3)c2)cc1.

What is the InChIKey of 2-dibenzothiophen-4-yl-4-(4-naphthalen-2-ylphenyl)-6-[7-(3-phenylphenyl)naphthalen-1-yl]-1,3,5-triazine?

The InChIKey is GLODMSUIYUKUPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C53H33N3S/c1-2-11-34(12-3-1)40-16-8-17-41(31-40)43-30-26-37-15-9-20-46(48(37)33-43)52-54-51(38-27-23-36(24-28-38)42-29-25-35-13-4-5-14-39(35)32-42)55-53(56-52)47-21-10-19-45-44-18-6-7-22-49(44)57-50(45)47/h1-33H.

What are the key properties of 2-dibenzothiophen-4-yl-4-(4-naphthalen-2-ylphenyl)-6-[7-(3-phenylphenyl)naphthalen-1-yl]-1,3,5-triazine?

2-dibenzothiophen-4-yl-4-(4-naphthalen-2-ylphenyl)-6-[7-(3-phenylphenyl)naphthalen-1-yl]-1,3,5-triazine has a molecular weight of 743.94 g/mol, XLogP of 14.55, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2-dibenzothiophen-4-yl-4-(4-naphthalen-2-ylphenyl)-6-[7-(3-phenylphenyl)naphthalen-1-yl]-1,3,5-triazine is sourced from PubChem (CID 139441952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).