1-[4-(4-dibenzothiophen-1-yl-6-phenyl-1,3,5-triazin-2-yl)-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-9-phenylcarbazole

C60H37N7S — CID 146648774

About 1-[4-(4-dibenzothiophen-1-yl-6-phenyl-1,3,5-triazin-2-yl)-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-9-phenylcarbazole

1-[4-(4-dibenzothiophen-1-yl-6-phenyl-1,3,5-triazin-2-yl)-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-9-phenylcarbazole (PubChem CID 146648774) has the molecular formula C60H37N7S and a molecular weight of 888.07 g/mol. Its IUPAC name is 1-[4-(4-dibenzothiophen-1-yl-6-phenyl-1,3,5-triazin-2-yl)-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-9-phenylcarbazole.

Molecular Properties

• Compound Name: 1-[4-(4-dibenzothiophen-1-yl-6-phenyl-1,3,5-triazin-2-yl)-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-9-phenylcarbazole
• PubChem CID: 146648774
• Molecular Formula: C60H37N7S
• Molecular Weight: 888.07 g/mol
• Exact Mass: 887.28
• IUPAC Name: 1-[4-(4-dibenzothiophen-1-yl-6-phenyl-1,3,5-triazin-2-yl)-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-9-phenylcarbazole
• SMILES: c1ccc(-c2nc(-c3ccccc3)nc(-c3cc(-c4nc(-c5ccccc5)nc(-c5cccc6sc7ccccc7c56)n4)ccc3-c3cccc4c5ccccc5n(-c5ccccc5)c34)n2)cc1
• InChI: InChI=1S/C60H37N7S/c1-5-19-38(20-6-1)55-61-56(39-21-7-2-8-22-39)65-60(64-55)49-37-41(35-36-43(49)45-29-17-30-46-44-27-13-15-32-50(44)67(54(45)46)42-25-11-4-12-26-42)58-62-57(40-23-9-3-10-24-40)63-59(66-58)48-31-18-34-52-53(48)47-28-14-16-33-51(47)68-52/h1-37H
• InChIKey: OAHMGRUKSUVREE-UHFFFAOYSA-N
• XLogP: 15.19
• TPSA: 82.27 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 8
• Heavy Atoms: 68
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	888.07
LogP ≤ 5	15.19
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 1-[4-(4-dibenzothiophen-1-yl-6-phenyl-1,3,5-triazin-2-yl)-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-9-phenylcarbazole?

The IUPAC name of 1-[4-(4-dibenzothiophen-1-yl-6-phenyl-1,3,5-triazin-2-yl)-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-9-phenylcarbazole (CID 146648774) is 1-[4-(4-dibenzothiophen-1-yl-6-phenyl-1,3,5-triazin-2-yl)-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-9-phenylcarbazole.

What is the SMILES notation for 1-[4-(4-dibenzothiophen-1-yl-6-phenyl-1,3,5-triazin-2-yl)-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-9-phenylcarbazole?

The canonical SMILES for 1-[4-(4-dibenzothiophen-1-yl-6-phenyl-1,3,5-triazin-2-yl)-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-9-phenylcarbazole is c1ccc(-c2nc(-c3ccccc3)nc(-c3cc(-c4nc(-c5ccccc5)nc(-c5cccc6sc7ccccc7c56)n4)ccc3-c3cccc4c5ccccc5n(-c5ccccc5)c34)n2)cc1.

What is the InChIKey of 1-[4-(4-dibenzothiophen-1-yl-6-phenyl-1,3,5-triazin-2-yl)-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-9-phenylcarbazole?

The InChIKey is OAHMGRUKSUVREE-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H37N7S/c1-5-19-38(20-6-1)55-61-56(39-21-7-2-8-22-39)65-60(64-55)49-37-41(35-36-43(49)45-29-17-30-46-44-27-13-15-32-50(44)67(54(45)46)42-25-11-4-12-26-42)58-62-57(40-23-9-3-10-24-40)63-59(66-58)48-31-18-34-52-53(48)47-28-14-16-33-51(47)68-52/h1-37H.

What are the key properties of 1-[4-(4-dibenzothiophen-1-yl-6-phenyl-1,3,5-triazin-2-yl)-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-9-phenylcarbazole?

1-[4-(4-dibenzothiophen-1-yl-6-phenyl-1,3,5-triazin-2-yl)-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-9-phenylcarbazole has a molecular weight of 888.07 g/mol, XLogP of 15.19, 8 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[4-(4-dibenzothiophen-1-yl-6-phenyl-1,3,5-triazin-2-yl)-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-9-phenylcarbazole is sourced from PubChem (CID 146648774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).