9-[4-dibenzothiophen-4-yl-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2,7-bis(4,6-diphenyl-1,3,5-triazin-2-yl)carbazole

C75H46N10S — CID 155232338

About 9-[4-dibenzothiophen-4-yl-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2,7-bis(4,6-diphenyl-1,3,5-triazin-2-yl)carbazole

9-[4-dibenzothiophen-4-yl-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2,7-bis(4,6-diphenyl-1,3,5-triazin-2-yl)carbazole (PubChem CID 155232338) has the molecular formula C75H46N10S and a molecular weight of 1119.33 g/mol. Its IUPAC name is 9-[4-dibenzothiophen-4-yl-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2,7-bis(4,6-diphenyl-1,3,5-triazin-2-yl)carbazole.

Molecular Properties

• Compound Name: 9-[4-dibenzothiophen-4-yl-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2,7-bis(4,6-diphenyl-1,3,5-triazin-2-yl)carbazole
• PubChem CID: 155232338
• Molecular Formula: C75H46N10S
• Molecular Weight: 1119.33 g/mol
• Exact Mass: 1118.36
• IUPAC Name: 9-[4-dibenzothiophen-4-yl-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2,7-bis(4,6-diphenyl-1,3,5-triazin-2-yl)carbazole
• SMILES: c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc4c5ccc(-c6nc(-c7ccccc7)nc(-c7ccccc7)n6)cc5n(-c5ccc(-c6cccc7c6sc6ccccc67)cc5-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)c4c3)n2)cc1
• InChI: InChI=1S/C75H46N10S/c1-7-22-47(23-8-1)67-76-68(48-24-9-2-10-25-48)80-73(79-67)54-38-41-57-58-42-39-55(74-81-69(49-26-11-3-12-27-49)77-70(82-74)50-28-13-4-14-29-50)46-64(58)85(63(57)45-54)62-43-40-53(56-35-21-36-60-59-34-19-20-37-65(59)86-66(56)60)44-61(62)75-83-71(51-30-15-5-16-31-51)78-72(84-75)52-32-17-6-18-33-52/h1-46H
• InChIKey: URKBQNFQPYPZKG-UHFFFAOYSA-N
• XLogP: 18.38
• TPSA: 120.94 Ų
• H-Bond Acceptors: 11
• Rotatable Bonds: 11
• Heavy Atoms: 86
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1119.33
LogP ≤ 5	18.38
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	11

Frequently Asked Questions

What is the IUPAC name of 9-[4-dibenzothiophen-4-yl-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2,7-bis(4,6-diphenyl-1,3,5-triazin-2-yl)carbazole?

The IUPAC name of 9-[4-dibenzothiophen-4-yl-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2,7-bis(4,6-diphenyl-1,3,5-triazin-2-yl)carbazole (CID 155232338) is 9-[4-dibenzothiophen-4-yl-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2,7-bis(4,6-diphenyl-1,3,5-triazin-2-yl)carbazole.

What is the SMILES notation for 9-[4-dibenzothiophen-4-yl-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2,7-bis(4,6-diphenyl-1,3,5-triazin-2-yl)carbazole?

The canonical SMILES for 9-[4-dibenzothiophen-4-yl-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2,7-bis(4,6-diphenyl-1,3,5-triazin-2-yl)carbazole is c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc4c5ccc(-c6nc(-c7ccccc7)nc(-c7ccccc7)n6)cc5n(-c5ccc(-c6cccc7c6sc6ccccc67)cc5-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)c4c3)n2)cc1.

What is the InChIKey of 9-[4-dibenzothiophen-4-yl-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2,7-bis(4,6-diphenyl-1,3,5-triazin-2-yl)carbazole?

The InChIKey is URKBQNFQPYPZKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C75H46N10S/c1-7-22-47(23-8-1)67-76-68(48-24-9-2-10-25-48)80-73(79-67)54-38-41-57-58-42-39-55(74-81-69(49-26-11-3-12-27-49)77-70(82-74)50-28-13-4-14-29-50)46-64(58)85(63(57)45-54)62-43-40-53(56-35-21-36-60-59-34-19-20-37-65(59)86-66(56)60)44-61(62)75-83-71(51-30-15-5-16-31-51)78-72(84-75)52-32-17-6-18-33-52/h1-46H.

What are the key properties of 9-[4-dibenzothiophen-4-yl-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2,7-bis(4,6-diphenyl-1,3,5-triazin-2-yl)carbazole?

9-[4-dibenzothiophen-4-yl-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2,7-bis(4,6-diphenyl-1,3,5-triazin-2-yl)carbazole has a molecular weight of 1119.33 g/mol, XLogP of 18.38, 11 rotatable bonds, 0 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for 9-[4-dibenzothiophen-4-yl-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2,7-bis(4,6-diphenyl-1,3,5-triazin-2-yl)carbazole is sourced from PubChem (CID 155232338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).