9-[2-(3,5-diphenylphenyl)-5-[4-phenyl-6-(2-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]carbazole

C57H38N4 — CID 170658474

About 9-[2-(3,5-diphenylphenyl)-5-[4-phenyl-6-(2-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]carbazole

9-[2-(3,5-diphenylphenyl)-5-[4-phenyl-6-(2-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]carbazole (PubChem CID 170658474) has the molecular formula C57H38N4 and a molecular weight of 778.96 g/mol. Its IUPAC name is 9-[2-(3,5-diphenylphenyl)-5-[4-phenyl-6-(2-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]carbazole.

Molecular Properties

• Compound Name: 9-[2-(3,5-diphenylphenyl)-5-[4-phenyl-6-(2-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]carbazole
• PubChem CID: 170658474
• Molecular Formula: C57H38N4
• Molecular Weight: 778.96 g/mol
• Exact Mass: 778.31
• IUPAC Name: 9-[2-(3,5-diphenylphenyl)-5-[4-phenyl-6-(2-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]carbazole
• SMILES: c1ccc(-c2cc(-c3ccccc3)cc(-c3ccc(-c4nc(-c5ccccc5)nc(-c5ccccc5-c5ccccc5)n4)cc3-n3c4ccccc4c4ccccc43)c2)cc1
• InChI: InChI=1S/C57H38N4/c1-5-19-39(20-6-1)44-35-45(40-21-7-2-8-22-40)37-46(36-44)48-34-33-43(38-54(48)61-52-31-17-15-28-49(52)50-29-16-18-32-53(50)61)56-58-55(42-25-11-4-12-26-42)59-57(60-56)51-30-14-13-27-47(51)41-23-9-3-10-24-41/h1-38H
• InChIKey: OKYJGSXALDFDDZ-UHFFFAOYSA-N
• XLogP: 14.64
• TPSA: 43.60 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 8
• Heavy Atoms: 61
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	778.96
LogP ≤ 5	14.64
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

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

The IUPAC name of 9-[2-(3,5-diphenylphenyl)-5-[4-phenyl-6-(2-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]carbazole (CID 170658474) is 9-[2-(3,5-diphenylphenyl)-5-[4-phenyl-6-(2-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]carbazole.

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

The canonical SMILES for 9-[2-(3,5-diphenylphenyl)-5-[4-phenyl-6-(2-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]carbazole is c1ccc(-c2cc(-c3ccccc3)cc(-c3ccc(-c4nc(-c5ccccc5)nc(-c5ccccc5-c5ccccc5)n4)cc3-n3c4ccccc4c4ccccc43)c2)cc1.

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

The InChIKey is OKYJGSXALDFDDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C57H38N4/c1-5-19-39(20-6-1)44-35-45(40-21-7-2-8-22-40)37-46(36-44)48-34-33-43(38-54(48)61-52-31-17-15-28-49(52)50-29-16-18-32-53(50)61)56-58-55(42-25-11-4-12-26-42)59-57(60-56)51-30-14-13-27-47(51)41-23-9-3-10-24-41/h1-38H.

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

9-[2-(3,5-diphenylphenyl)-5-[4-phenyl-6-(2-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]carbazole has a molecular weight of 778.96 g/mol, XLogP of 14.64, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 9-[2-(3,5-diphenylphenyl)-5-[4-phenyl-6-(2-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]carbazole is sourced from PubChem (CID 170658474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).