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

C57H37N5 — CID 145151686

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

2-(3-carbazol-9-ylphenyl)-9-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]carbazole (PubChem CID 145151686) has the molecular formula C57H37N5 and a molecular weight of 791.96 g/mol. Its IUPAC name is 2-(3-carbazol-9-ylphenyl)-9-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]carbazole.

Molecular Properties

• Compound Name: 2-(3-carbazol-9-ylphenyl)-9-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]carbazole
• PubChem CID: 145151686
• Molecular Formula: C57H37N5
• Molecular Weight: 791.96 g/mol
• Exact Mass: 791.30
• IUPAC Name: 2-(3-carbazol-9-ylphenyl)-9-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]carbazole
• SMILES: c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-c4ccc(-n5c6ccccc6c6ccc(-c7cccc(-n8c9ccccc9c9ccccc98)c7)cc65)cc4)cc3)n2)cc1
• InChI: InChI=1S/C57H37N5/c1-3-14-40(15-4-1)55-58-56(41-16-5-2-6-17-41)60-57(59-55)42-28-26-38(27-29-42)39-30-33-45(34-31-39)61-51-23-10-9-22-49(51)50-35-32-44(37-54(50)61)43-18-13-19-46(36-43)62-52-24-11-7-20-47(52)48-21-8-12-25-53(48)62/h1-37H
• InChIKey: GNTPPBBXGMLMFO-UHFFFAOYSA-N
• XLogP: 14.40
• TPSA: 48.53 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 62
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	791.96
LogP ≤ 5	14.40
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of 2-(3-carbazol-9-ylphenyl)-9-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]carbazole (CID 145151686) is 2-(3-carbazol-9-ylphenyl)-9-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]carbazole.

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

The canonical SMILES for 2-(3-carbazol-9-ylphenyl)-9-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]carbazole is c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-c4ccc(-n5c6ccccc6c6ccc(-c7cccc(-n8c9ccccc9c9ccccc98)c7)cc65)cc4)cc3)n2)cc1.

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

The InChIKey is GNTPPBBXGMLMFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C57H37N5/c1-3-14-40(15-4-1)55-58-56(41-16-5-2-6-17-41)60-57(59-55)42-28-26-38(27-29-42)39-30-33-45(34-31-39)61-51-23-10-9-22-49(51)50-35-32-44(37-54(50)61)43-18-13-19-46(36-43)62-52-24-11-7-20-47(52)48-21-8-12-25-53(48)62/h1-37H.

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

2-(3-carbazol-9-ylphenyl)-9-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]carbazole has a molecular weight of 791.96 g/mol, XLogP of 14.40, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(3-carbazol-9-ylphenyl)-9-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]carbazole is sourced from PubChem (CID 145151686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).