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

C75H46N10S — CID 155232399

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

9-[4-dibenzothiophen-3-yl-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3,6-bis(4,6-diphenyl-1,3,5-triazin-2-yl)carbazole (PubChem CID 155232399) has the molecular formula C75H46N10S and a molecular weight of 1119.33 g/mol. Its IUPAC name is 9-[4-dibenzothiophen-3-yl-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3,6-bis(4,6-diphenyl-1,3,5-triazin-2-yl)carbazole.

Molecular Properties

• Compound Name: 9-[4-dibenzothiophen-3-yl-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3,6-bis(4,6-diphenyl-1,3,5-triazin-2-yl)carbazole
• PubChem CID: 155232399
• Molecular Formula: C75H46N10S
• Molecular Weight: 1119.33 g/mol
• Exact Mass: 1118.36
• IUPAC Name: 9-[4-dibenzothiophen-3-yl-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3,6-bis(4,6-diphenyl-1,3,5-triazin-2-yl)carbazole
• SMILES: c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc4c(c3)c3cc(-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)ccc3n4-c3ccc(-c4ccc5c(c4)sc4ccccc45)cc3-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)n2)cc1
• InChI: InChI=1S/C75H46N10S/c1-7-21-47(22-8-1)67-76-68(48-23-9-2-10-24-48)80-73(79-67)55-37-41-62-59(44-55)60-45-56(74-81-69(49-25-11-3-12-26-49)77-70(82-74)50-27-13-4-14-28-50)38-42-63(60)85(62)64-40-36-53(54-35-39-58-57-33-19-20-34-65(57)86-66(58)46-54)43-61(64)75-83-71(51-29-15-5-16-30-51)78-72(84-75)52-31-17-6-18-32-52/h1-46H
• InChIKey: ZBCNOQPYLMVBLE-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-3-yl-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3,6-bis(4,6-diphenyl-1,3,5-triazin-2-yl)carbazole?

The IUPAC name of 9-[4-dibenzothiophen-3-yl-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3,6-bis(4,6-diphenyl-1,3,5-triazin-2-yl)carbazole (CID 155232399) is 9-[4-dibenzothiophen-3-yl-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3,6-bis(4,6-diphenyl-1,3,5-triazin-2-yl)carbazole.

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

The canonical SMILES for 9-[4-dibenzothiophen-3-yl-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3,6-bis(4,6-diphenyl-1,3,5-triazin-2-yl)carbazole is c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc4c(c3)c3cc(-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)ccc3n4-c3ccc(-c4ccc5c(c4)sc4ccccc45)cc3-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)n2)cc1.

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

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

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

9-[4-dibenzothiophen-3-yl-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3,6-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-3-yl-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3,6-bis(4,6-diphenyl-1,3,5-triazin-2-yl)carbazole is sourced from PubChem (CID 155232399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).