2-phenyl-9-[4-phenyl-6-[3-[8-(3-phenylphenyl)dibenzothiophen-4-yl]phenyl]-1,3,5-triazin-2-yl]carbazole

C57H36N4S — CID 155329843

About 2-phenyl-9-[4-phenyl-6-[3-[8-(3-phenylphenyl)dibenzothiophen-4-yl]phenyl]-1,3,5-triazin-2-yl]carbazole

2-phenyl-9-[4-phenyl-6-[3-[8-(3-phenylphenyl)dibenzothiophen-4-yl]phenyl]-1,3,5-triazin-2-yl]carbazole (PubChem CID 155329843) has the molecular formula C57H36N4S and a molecular weight of 809.01 g/mol. Its IUPAC name is 2-phenyl-9-[4-phenyl-6-[3-[8-(3-phenylphenyl)dibenzothiophen-4-yl]phenyl]-1,3,5-triazin-2-yl]carbazole.

Molecular Properties

• Compound Name: 2-phenyl-9-[4-phenyl-6-[3-[8-(3-phenylphenyl)dibenzothiophen-4-yl]phenyl]-1,3,5-triazin-2-yl]carbazole
• PubChem CID: 155329843
• Molecular Formula: C57H36N4S
• Molecular Weight: 809.01 g/mol
• Exact Mass: 808.27
• IUPAC Name: 2-phenyl-9-[4-phenyl-6-[3-[8-(3-phenylphenyl)dibenzothiophen-4-yl]phenyl]-1,3,5-triazin-2-yl]carbazole
• SMILES: c1ccc(-c2cccc(-c3ccc4sc5c(-c6cccc(-c7nc(-c8ccccc8)nc(-n8c9ccccc9c9ccc(-c%10ccccc%10)cc98)n7)c6)cccc5c4c3)c2)cc1
• InChI: InChI=1S/C57H36N4S/c1-4-15-37(16-5-1)40-21-12-22-41(33-40)42-30-32-53-50(35-42)49-27-14-26-46(54(49)62-53)44-23-13-24-45(34-44)56-58-55(39-19-8-3-9-20-39)59-57(60-56)61-51-28-11-10-25-47(51)48-31-29-43(36-52(48)61)38-17-6-2-7-18-38/h1-36H
• InChIKey: UPLQZNWQYVJUFW-UHFFFAOYSA-N
• XLogP: 15.34
• TPSA: 43.60 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 62
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	809.01
LogP ≤ 5	15.34
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 2-phenyl-9-[4-phenyl-6-[3-[8-(3-phenylphenyl)dibenzothiophen-4-yl]phenyl]-1,3,5-triazin-2-yl]carbazole?

The IUPAC name of 2-phenyl-9-[4-phenyl-6-[3-[8-(3-phenylphenyl)dibenzothiophen-4-yl]phenyl]-1,3,5-triazin-2-yl]carbazole (CID 155329843) is 2-phenyl-9-[4-phenyl-6-[3-[8-(3-phenylphenyl)dibenzothiophen-4-yl]phenyl]-1,3,5-triazin-2-yl]carbazole.

What is the SMILES notation for 2-phenyl-9-[4-phenyl-6-[3-[8-(3-phenylphenyl)dibenzothiophen-4-yl]phenyl]-1,3,5-triazin-2-yl]carbazole?

The canonical SMILES for 2-phenyl-9-[4-phenyl-6-[3-[8-(3-phenylphenyl)dibenzothiophen-4-yl]phenyl]-1,3,5-triazin-2-yl]carbazole is c1ccc(-c2cccc(-c3ccc4sc5c(-c6cccc(-c7nc(-c8ccccc8)nc(-n8c9ccccc9c9ccc(-c%10ccccc%10)cc98)n7)c6)cccc5c4c3)c2)cc1.

What is the InChIKey of 2-phenyl-9-[4-phenyl-6-[3-[8-(3-phenylphenyl)dibenzothiophen-4-yl]phenyl]-1,3,5-triazin-2-yl]carbazole?

The InChIKey is UPLQZNWQYVJUFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C57H36N4S/c1-4-15-37(16-5-1)40-21-12-22-41(33-40)42-30-32-53-50(35-42)49-27-14-26-46(54(49)62-53)44-23-13-24-45(34-44)56-58-55(39-19-8-3-9-20-39)59-57(60-56)61-51-28-11-10-25-47(51)48-31-29-43(36-52(48)61)38-17-6-2-7-18-38/h1-36H.

What are the key properties of 2-phenyl-9-[4-phenyl-6-[3-[8-(3-phenylphenyl)dibenzothiophen-4-yl]phenyl]-1,3,5-triazin-2-yl]carbazole?

2-phenyl-9-[4-phenyl-6-[3-[8-(3-phenylphenyl)dibenzothiophen-4-yl]phenyl]-1,3,5-triazin-2-yl]carbazole has a molecular weight of 809.01 g/mol, XLogP of 15.34, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-phenyl-9-[4-phenyl-6-[3-[8-(3-phenylphenyl)dibenzothiophen-4-yl]phenyl]-1,3,5-triazin-2-yl]carbazole is sourced from PubChem (CID 155329843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).