7-[9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]-2,10-diphenyl-[1,3]thiazolo[5,4-a]carbazole

C58H36N6S — CID 144788222

About 7-[9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]-2,10-diphenyl-[1,3]thiazolo[5,4-a]carbazole

7-[9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]-2,10-diphenyl-[1,3]thiazolo[5,4-a]carbazole (PubChem CID 144788222) has the molecular formula C58H36N6S and a molecular weight of 849.04 g/mol. Its IUPAC name is 7-[9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]-2,10-diphenyl-[1,3]thiazolo[5,4-a]carbazole.

Molecular Properties

• Compound Name: 7-[9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]-2,10-diphenyl-[1,3]thiazolo[5,4-a]carbazole
• PubChem CID: 144788222
• Molecular Formula: C58H36N6S
• Molecular Weight: 849.04 g/mol
• Exact Mass: 848.27
• IUPAC Name: 7-[9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]-2,10-diphenyl-[1,3]thiazolo[5,4-a]carbazole
• SMILES: c1ccc(-c2nc(-c3ccccc3)nc(-c3cccc(-n4c5ccccc5c5cc(-c6ccc7c(c6)c6ccc8nc(-c9ccccc9)sc8c6n7-c6ccccc6)ccc54)c3)n2)cc1
• InChI: InChI=1S/C58H36N6S/c1-5-16-37(17-6-1)55-60-56(38-18-7-2-8-19-38)62-57(61-55)42-22-15-25-44(34-42)63-50-27-14-13-26-45(50)47-35-40(28-32-51(47)63)41-29-33-52-48(36-41)46-30-31-49-54(53(46)64(52)43-23-11-4-12-24-43)65-58(59-49)39-20-9-3-10-21-39/h1-36H
• InChIKey: YRYIGKGQCOGBHZ-UHFFFAOYSA-N
• XLogP: 15.01
• TPSA: 61.42 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 65
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	849.04
LogP ≤ 5	15.01
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 7-[9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]-2,10-diphenyl-[1,3]thiazolo[5,4-a]carbazole?

The IUPAC name of 7-[9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]-2,10-diphenyl-[1,3]thiazolo[5,4-a]carbazole (CID 144788222) is 7-[9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]-2,10-diphenyl-[1,3]thiazolo[5,4-a]carbazole.

What is the SMILES notation for 7-[9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]-2,10-diphenyl-[1,3]thiazolo[5,4-a]carbazole?

The canonical SMILES for 7-[9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]-2,10-diphenyl-[1,3]thiazolo[5,4-a]carbazole is c1ccc(-c2nc(-c3ccccc3)nc(-c3cccc(-n4c5ccccc5c5cc(-c6ccc7c(c6)c6ccc8nc(-c9ccccc9)sc8c6n7-c6ccccc6)ccc54)c3)n2)cc1.

What is the InChIKey of 7-[9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]-2,10-diphenyl-[1,3]thiazolo[5,4-a]carbazole?

The InChIKey is YRYIGKGQCOGBHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H36N6S/c1-5-16-37(17-6-1)55-60-56(38-18-7-2-8-19-38)62-57(61-55)42-22-15-25-44(34-42)63-50-27-14-13-26-45(50)47-35-40(28-32-51(47)63)41-29-33-52-48(36-41)46-30-31-49-54(53(46)64(52)43-23-11-4-12-24-43)65-58(59-49)39-20-9-3-10-21-39/h1-36H.

What are the key properties of 7-[9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]-2,10-diphenyl-[1,3]thiazolo[5,4-a]carbazole?

7-[9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]-2,10-diphenyl-[1,3]thiazolo[5,4-a]carbazole has a molecular weight of 849.04 g/mol, XLogP of 15.01, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 7-[9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]-2,10-diphenyl-[1,3]thiazolo[5,4-a]carbazole is sourced from PubChem (CID 144788222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).