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

C57H34N4S2 — CID 118020018

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

9-dibenzothiophen-2-yl-3-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-4-yl]-6-phenylcarbazole (PubChem CID 118020018) has the molecular formula C57H34N4S2 and a molecular weight of 839.06 g/mol. Its IUPAC name is 9-dibenzothiophen-2-yl-3-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-4-yl]-6-phenylcarbazole.

Molecular Properties

• Compound Name: 9-dibenzothiophen-2-yl-3-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-4-yl]-6-phenylcarbazole
• PubChem CID: 118020018
• Molecular Formula: C57H34N4S2
• Molecular Weight: 839.06 g/mol
• Exact Mass: 838.22
• IUPAC Name: 9-dibenzothiophen-2-yl-3-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-4-yl]-6-phenylcarbazole
• SMILES: c1ccc(-c2ccc3c(c2)c2cc(-c4cccc5c4sc4c(-c6nc(-c7ccccc7)nc(-c7ccccc7)n6)cccc45)ccc2n3-c2ccc3sc4ccccc4c3c2)cc1
• InChI: InChI=1S/C57H34N4S2/c1-4-14-35(15-5-1)38-26-29-49-46(32-38)47-33-39(27-30-50(47)61(49)40-28-31-52-48(34-40)42-20-10-11-25-51(42)62-52)41-21-12-22-43-44-23-13-24-45(54(44)63-53(41)43)57-59-55(36-16-6-2-7-17-36)58-56(60-57)37-18-8-3-9-19-37/h1-34H
• InChIKey: MOIDZRKRUDYCHV-UHFFFAOYSA-N
• XLogP: 16.04
• TPSA: 43.60 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 63
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	839.06
LogP ≤ 5	16.04
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of 9-dibenzothiophen-2-yl-3-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-4-yl]-6-phenylcarbazole (CID 118020018) is 9-dibenzothiophen-2-yl-3-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-4-yl]-6-phenylcarbazole.

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

The canonical SMILES for 9-dibenzothiophen-2-yl-3-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-4-yl]-6-phenylcarbazole is c1ccc(-c2ccc3c(c2)c2cc(-c4cccc5c4sc4c(-c6nc(-c7ccccc7)nc(-c7ccccc7)n6)cccc45)ccc2n3-c2ccc3sc4ccccc4c3c2)cc1.

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

The InChIKey is MOIDZRKRUDYCHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C57H34N4S2/c1-4-14-35(15-5-1)38-26-29-49-46(32-38)47-33-39(27-30-50(47)61(49)40-28-31-52-48(34-40)42-20-10-11-25-51(42)62-52)41-21-12-22-43-44-23-13-24-45(54(44)63-53(41)43)57-59-55(36-16-6-2-7-17-36)58-56(60-57)37-18-8-3-9-19-37/h1-34H.

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

9-dibenzothiophen-2-yl-3-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-4-yl]-6-phenylcarbazole has a molecular weight of 839.06 g/mol, XLogP of 16.04, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 9-dibenzothiophen-2-yl-3-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-4-yl]-6-phenylcarbazole is sourced from PubChem (CID 118020018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).