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

C60H37N7S — CID 147359936

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

4-[4-(4-dibenzothiophen-4-yl-6-phenyl-1,3,5-triazin-2-yl)-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-9-phenylcarbazole (PubChem CID 147359936) has the molecular formula C60H37N7S and a molecular weight of 888.07 g/mol. Its IUPAC name is 4-[4-(4-dibenzothiophen-4-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: 4-[4-(4-dibenzothiophen-4-yl-6-phenyl-1,3,5-triazin-2-yl)-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-9-phenylcarbazole
• PubChem CID: 147359936
• Molecular Formula: C60H37N7S
• Molecular Weight: 888.07 g/mol
• Exact Mass: 887.28
• IUPAC Name: 4-[4-(4-dibenzothiophen-4-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(-c5cccc6c5sc5ccccc56)n4)ccc3-c3cccc4c3c3ccccc3n4-c3ccccc3)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)45-29-18-33-51-53(45)47-28-13-15-32-50(47)67(51)42-25-11-4-12-26-42)58-62-57(40-23-9-3-10-24-40)63-59(66-58)48-31-17-30-46-44-27-14-16-34-52(44)68-54(46)48/h1-37H
• InChIKey: DHBBDUFUQPYBDC-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 4-[4-(4-dibenzothiophen-4-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 4-[4-(4-dibenzothiophen-4-yl-6-phenyl-1,3,5-triazin-2-yl)-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-9-phenylcarbazole (CID 147359936) is 4-[4-(4-dibenzothiophen-4-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 4-[4-(4-dibenzothiophen-4-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 4-[4-(4-dibenzothiophen-4-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(-c5cccc6c5sc5ccccc56)n4)ccc3-c3cccc4c3c3ccccc3n4-c3ccccc3)n2)cc1.

What is the InChIKey of 4-[4-(4-dibenzothiophen-4-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 DHBBDUFUQPYBDC-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)45-29-18-33-51-53(45)47-28-13-15-32-50(47)67(51)42-25-11-4-12-26-42)58-62-57(40-23-9-3-10-24-40)63-59(66-58)48-31-17-30-46-44-27-14-16-34-52(44)68-54(46)48/h1-37H.

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

4-[4-(4-dibenzothiophen-4-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 4-[4-(4-dibenzothiophen-4-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 147359936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).