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

C63H39N5S — CID 174275118

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

2-dibenzothiophen-4-yl-4-[9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-4-yl]-9-phenylcarbazole (PubChem CID 174275118) has the molecular formula C63H39N5S and a molecular weight of 898.11 g/mol. Its IUPAC name is 2-dibenzothiophen-4-yl-4-[9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-4-yl]-9-phenylcarbazole.

Molecular Properties

• Compound Name: 2-dibenzothiophen-4-yl-4-[9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-4-yl]-9-phenylcarbazole
• PubChem CID: 174275118
• Molecular Formula: C63H39N5S
• Molecular Weight: 898.11 g/mol
• Exact Mass: 897.29
• IUPAC Name: 2-dibenzothiophen-4-yl-4-[9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-4-yl]-9-phenylcarbazole
• SMILES: c1ccc(-c2nc(-c3ccccc3)nc(-c3ccccc3-n3c4ccccc4c4c(-c5cc(-c6cccc7c6sc6ccccc67)cc6c5c5ccccc5n6-c5ccccc5)cccc43)n2)cc1
• InChI: InChI=1S/C63H39N5S/c1-4-20-40(21-5-1)61-64-62(41-22-6-2-7-23-41)66-63(65-61)50-29-12-16-35-54(50)68-53-34-15-11-28-49(53)58-46(31-19-36-55(58)68)51-38-42(44-30-18-32-47-45-26-13-17-37-57(45)69-60(44)47)39-56-59(51)48-27-10-14-33-52(48)67(56)43-24-8-3-9-25-43/h1-39H
• InChIKey: QDZFVDUKSUDFHM-UHFFFAOYSA-N
• XLogP: 16.77
• TPSA: 48.53 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 69
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	898.11
LogP ≤ 5	16.77
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of 2-dibenzothiophen-4-yl-4-[9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-4-yl]-9-phenylcarbazole (CID 174275118) is 2-dibenzothiophen-4-yl-4-[9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-4-yl]-9-phenylcarbazole.

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

The canonical SMILES for 2-dibenzothiophen-4-yl-4-[9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-4-yl]-9-phenylcarbazole is c1ccc(-c2nc(-c3ccccc3)nc(-c3ccccc3-n3c4ccccc4c4c(-c5cc(-c6cccc7c6sc6ccccc67)cc6c5c5ccccc5n6-c5ccccc5)cccc43)n2)cc1.

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

The InChIKey is QDZFVDUKSUDFHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C63H39N5S/c1-4-20-40(21-5-1)61-64-62(41-22-6-2-7-23-41)66-63(65-61)50-29-12-16-35-54(50)68-53-34-15-11-28-49(53)58-46(31-19-36-55(58)68)51-38-42(44-30-18-32-47-45-26-13-17-37-57(45)69-60(44)47)39-56-59(51)48-27-10-14-33-52(48)67(56)43-24-8-3-9-25-43/h1-39H.

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

2-dibenzothiophen-4-yl-4-[9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-4-yl]-9-phenylcarbazole has a molecular weight of 898.11 g/mol, XLogP of 16.77, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-dibenzothiophen-4-yl-4-[9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-4-yl]-9-phenylcarbazole is sourced from PubChem (CID 174275118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).