12-(2,5-diphenylphenyl)-5-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]indolo[3,2-c]carbazole

C57H37N5 — CID 167154472

About 12-(2,5-diphenylphenyl)-5-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]indolo[3,2-c]carbazole

12-(2,5-diphenylphenyl)-5-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]indolo[3,2-c]carbazole (PubChem CID 167154472) has the molecular formula C57H37N5 and a molecular weight of 791.96 g/mol. Its IUPAC name is 12-(2,5-diphenylphenyl)-5-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]indolo[3,2-c]carbazole.

Molecular Properties

• Compound Name: 12-(2,5-diphenylphenyl)-5-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]indolo[3,2-c]carbazole
• PubChem CID: 167154472
• Molecular Formula: C57H37N5
• Molecular Weight: 791.96 g/mol
• Exact Mass: 791.30
• IUPAC Name: 12-(2,5-diphenylphenyl)-5-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]indolo[3,2-c]carbazole
• SMILES: c1ccc(-c2ccc(-c3nc(-c4ccccc4)nc(-n4c5ccccc5c5c4ccc4c6ccccc6n(-c6cc(-c7ccccc7)ccc6-c6ccccc6)c45)n3)cc2)cc1
• InChI: InChI=1S/C57H37N5/c1-5-17-38(18-6-1)40-29-31-43(32-30-40)56-58-55(42-23-11-4-12-24-42)59-57(60-56)62-50-28-16-14-26-48(50)53-51(62)36-35-47-46-25-13-15-27-49(46)61(54(47)53)52-37-44(39-19-7-2-8-20-39)33-34-45(52)41-21-9-3-10-22-41/h1-37H
• InChIKey: JHIZBAZUPCTJGQ-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 12-(2,5-diphenylphenyl)-5-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]indolo[3,2-c]carbazole?

The IUPAC name of 12-(2,5-diphenylphenyl)-5-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]indolo[3,2-c]carbazole (CID 167154472) is 12-(2,5-diphenylphenyl)-5-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]indolo[3,2-c]carbazole.

What is the SMILES notation for 12-(2,5-diphenylphenyl)-5-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]indolo[3,2-c]carbazole?

The canonical SMILES for 12-(2,5-diphenylphenyl)-5-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]indolo[3,2-c]carbazole is c1ccc(-c2ccc(-c3nc(-c4ccccc4)nc(-n4c5ccccc5c5c4ccc4c6ccccc6n(-c6cc(-c7ccccc7)ccc6-c6ccccc6)c45)n3)cc2)cc1.

What is the InChIKey of 12-(2,5-diphenylphenyl)-5-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]indolo[3,2-c]carbazole?

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

What are the key properties of 12-(2,5-diphenylphenyl)-5-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]indolo[3,2-c]carbazole?

12-(2,5-diphenylphenyl)-5-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]indolo[3,2-c]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 12-(2,5-diphenylphenyl)-5-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]indolo[3,2-c]carbazole is sourced from PubChem (CID 167154472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).