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

C57H38N4 — CID 171438033

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

2,9-diphenyl-4-[2-[2-[4-phenyl-6-(2-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]carbazole (PubChem CID 171438033) has the molecular formula C57H38N4 and a molecular weight of 778.96 g/mol. Its IUPAC name is 2,9-diphenyl-4-[2-[2-[4-phenyl-6-(2-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]carbazole.

Molecular Properties

• Compound Name: 2,9-diphenyl-4-[2-[2-[4-phenyl-6-(2-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]carbazole
• PubChem CID: 171438033
• Molecular Formula: C57H38N4
• Molecular Weight: 778.96 g/mol
• Exact Mass: 778.31
• IUPAC Name: 2,9-diphenyl-4-[2-[2-[4-phenyl-6-(2-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]carbazole
• SMILES: c1ccc(-c2cc(-c3ccccc3-c3ccccc3-c3nc(-c4ccccc4)nc(-c4ccccc4-c4ccccc4)n3)c3c4ccccc4n(-c4ccccc4)c3c2)cc1
• InChI: InChI=1S/C57H38N4/c1-5-21-39(22-6-1)42-37-51(54-50-35-19-20-36-52(50)61(53(54)38-42)43-27-11-4-12-28-43)47-32-15-14-30-45(47)46-31-16-18-34-49(46)57-59-55(41-25-9-3-10-26-41)58-56(60-57)48-33-17-13-29-44(48)40-23-7-2-8-24-40/h1-38H
• InChIKey: ULTJARWBYJKQMF-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 2,9-diphenyl-4-[2-[2-[4-phenyl-6-(2-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]carbazole?

The IUPAC name of 2,9-diphenyl-4-[2-[2-[4-phenyl-6-(2-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]carbazole (CID 171438033) is 2,9-diphenyl-4-[2-[2-[4-phenyl-6-(2-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]carbazole.

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

The canonical SMILES for 2,9-diphenyl-4-[2-[2-[4-phenyl-6-(2-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]carbazole is c1ccc(-c2cc(-c3ccccc3-c3ccccc3-c3nc(-c4ccccc4)nc(-c4ccccc4-c4ccccc4)n3)c3c4ccccc4n(-c4ccccc4)c3c2)cc1.

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

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

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

2,9-diphenyl-4-[2-[2-[4-phenyl-6-(2-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]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 2,9-diphenyl-4-[2-[2-[4-phenyl-6-(2-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]carbazole is sourced from PubChem (CID 171438033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).