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

C57H33N5S2 — CID 168807762

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

1-[4-(4-dibenzothiophen-1-yl-6-dibenzothiophen-2-yl-1,3,5-triazin-2-yl)carbazol-9-yl]-9-phenylcarbazole (PubChem CID 168807762) has the molecular formula C57H33N5S2 and a molecular weight of 852.06 g/mol. Its IUPAC name is 1-[4-(4-dibenzothiophen-1-yl-6-dibenzothiophen-2-yl-1,3,5-triazin-2-yl)carbazol-9-yl]-9-phenylcarbazole.

Molecular Properties

• Compound Name: 1-[4-(4-dibenzothiophen-1-yl-6-dibenzothiophen-2-yl-1,3,5-triazin-2-yl)carbazol-9-yl]-9-phenylcarbazole
• PubChem CID: 168807762
• Molecular Formula: C57H33N5S2
• Molecular Weight: 852.06 g/mol
• Exact Mass: 851.22
• IUPAC Name: 1-[4-(4-dibenzothiophen-1-yl-6-dibenzothiophen-2-yl-1,3,5-triazin-2-yl)carbazol-9-yl]-9-phenylcarbazole
• SMILES: c1ccc(-n2c3ccccc3c3cccc(-n4c5ccccc5c5c(-c6nc(-c7ccc8sc9ccccc9c8c7)nc(-c7cccc8sc9ccccc9c78)n6)cccc54)c32)cc1
• InChI: InChI=1S/C57H33N5S2/c1-2-15-35(16-3-1)61-44-24-8-4-17-36(44)38-21-12-27-47(54(38)61)62-45-25-9-5-19-39(45)52-41(22-13-26-46(52)62)56-58-55(34-31-32-50-43(33-34)37-18-6-10-28-48(37)63-50)59-57(60-56)42-23-14-30-51-53(42)40-20-7-11-29-49(40)64-51/h1-33H
• InChIKey: WPIJOPLYZORULN-UHFFFAOYSA-N
• XLogP: 15.80
• TPSA: 48.53 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 64
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	852.06
LogP ≤ 5	15.80
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

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

The IUPAC name of 1-[4-(4-dibenzothiophen-1-yl-6-dibenzothiophen-2-yl-1,3,5-triazin-2-yl)carbazol-9-yl]-9-phenylcarbazole (CID 168807762) is 1-[4-(4-dibenzothiophen-1-yl-6-dibenzothiophen-2-yl-1,3,5-triazin-2-yl)carbazol-9-yl]-9-phenylcarbazole.

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

The canonical SMILES for 1-[4-(4-dibenzothiophen-1-yl-6-dibenzothiophen-2-yl-1,3,5-triazin-2-yl)carbazol-9-yl]-9-phenylcarbazole is c1ccc(-n2c3ccccc3c3cccc(-n4c5ccccc5c5c(-c6nc(-c7ccc8sc9ccccc9c8c7)nc(-c7cccc8sc9ccccc9c78)n6)cccc54)c32)cc1.

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

The InChIKey is WPIJOPLYZORULN-UHFFFAOYSA-N. The full InChI is InChI=1S/C57H33N5S2/c1-2-15-35(16-3-1)61-44-24-8-4-17-36(44)38-21-12-27-47(54(38)61)62-45-25-9-5-19-39(45)52-41(22-13-26-46(52)62)56-58-55(34-31-32-50-43(33-34)37-18-6-10-28-48(37)63-50)59-57(60-56)42-23-14-30-51-53(42)40-20-7-11-29-49(40)64-51/h1-33H.

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

1-[4-(4-dibenzothiophen-1-yl-6-dibenzothiophen-2-yl-1,3,5-triazin-2-yl)carbazol-9-yl]-9-phenylcarbazole has a molecular weight of 852.06 g/mol, XLogP of 15.80, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[4-(4-dibenzothiophen-1-yl-6-dibenzothiophen-2-yl-1,3,5-triazin-2-yl)carbazol-9-yl]-9-phenylcarbazole is sourced from PubChem (CID 168807762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).