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

C57H38N4 — CID 168801599

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

9-[2-[3-[3-[4-[4-phenyl-6-(2-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]phenyl]phenyl]carbazole (PubChem CID 168801599) has the molecular formula C57H38N4 and a molecular weight of 778.96 g/mol. Its IUPAC name is 9-[2-[3-[3-[4-[4-phenyl-6-(2-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]phenyl]phenyl]carbazole.

Molecular Properties

• Compound Name: 9-[2-[3-[3-[4-[4-phenyl-6-(2-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]phenyl]phenyl]carbazole
• PubChem CID: 168801599
• Molecular Formula: C57H38N4
• Molecular Weight: 778.96 g/mol
• Exact Mass: 778.31
• IUPAC Name: 9-[2-[3-[3-[4-[4-phenyl-6-(2-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]phenyl]phenyl]carbazole
• SMILES: c1ccc(-c2nc(-c3ccc(-c4cccc(-c5cccc(-c6ccccc6-n6c7ccccc7c7ccccc76)c5)c4)cc3)nc(-c3ccccc3-c3ccccc3)n2)cc1
• InChI: InChI=1S/C57H38N4/c1-3-17-40(18-4-1)47-25-7-8-29-51(47)57-59-55(41-19-5-2-6-20-41)58-56(60-57)42-35-33-39(34-36-42)43-21-15-22-44(37-43)45-23-16-24-46(38-45)48-26-9-12-30-52(48)61-53-31-13-10-27-49(53)50-28-11-14-32-54(50)61/h1-38H
• InChIKey: JJOFBZQELKFHPZ-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-[3-[4-[4-phenyl-6-(2-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]phenyl]phenyl]carbazole?

The IUPAC name of 9-[2-[3-[3-[4-[4-phenyl-6-(2-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]phenyl]phenyl]carbazole (CID 168801599) is 9-[2-[3-[3-[4-[4-phenyl-6-(2-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]phenyl]phenyl]carbazole.

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

The canonical SMILES for 9-[2-[3-[3-[4-[4-phenyl-6-(2-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]phenyl]phenyl]carbazole is c1ccc(-c2nc(-c3ccc(-c4cccc(-c5cccc(-c6ccccc6-n6c7ccccc7c7ccccc76)c5)c4)cc3)nc(-c3ccccc3-c3ccccc3)n2)cc1.

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

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

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

9-[2-[3-[3-[4-[4-phenyl-6-(2-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]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 9-[2-[3-[3-[4-[4-phenyl-6-(2-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]phenyl]phenyl]carbazole is sourced from PubChem (CID 168801599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).