5-[4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]-7-(4-phenylphenyl)indolo[2,3-b]carbazole

C60H38N8 — CID 156554523

About 5-[4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]-7-(4-phenylphenyl)indolo[2,3-b]carbazole

5-[4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]-7-(4-phenylphenyl)indolo[2,3-b]carbazole (PubChem CID 156554523) has the molecular formula C60H38N8 and a molecular weight of 871.02 g/mol. Its IUPAC name is 5-[4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]-7-(4-phenylphenyl)indolo[2,3-b]carbazole.

Molecular Properties

• Compound Name: 5-[4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]-7-(4-phenylphenyl)indolo[2,3-b]carbazole
• PubChem CID: 156554523
• Molecular Formula: C60H38N8
• Molecular Weight: 871.02 g/mol
• Exact Mass: 870.32
• IUPAC Name: 5-[4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]-7-(4-phenylphenyl)indolo[2,3-b]carbazole
• SMILES: c1ccc(-c2ccc(-n3c4ccccc4c4cc5c6ccccc6n(-c6nc(-c7ccccc7)nc(-c7cccc(-c8nc(-c9ccccc9)nc(-c9ccccc9)n8)c7)n6)c5cc43)cc2)cc1
• InChI: InChI=1S/C60H38N8/c1-5-18-39(19-6-1)40-32-34-46(35-33-40)67-51-30-15-13-28-47(51)49-37-50-48-29-14-16-31-52(48)68(54(50)38-53(49)67)60-65-57(43-24-11-4-12-25-43)64-59(66-60)45-27-17-26-44(36-45)58-62-55(41-20-7-2-8-21-41)61-56(63-58)42-22-9-3-10-23-42/h1-38H
• InChIKey: HTJHRYAGWSKNRV-UHFFFAOYSA-N
• XLogP: 14.25
• TPSA: 87.20 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 8
• Heavy Atoms: 68
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	871.02
LogP ≤ 5	14.25
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 5-[4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]-7-(4-phenylphenyl)indolo[2,3-b]carbazole?

The IUPAC name of 5-[4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]-7-(4-phenylphenyl)indolo[2,3-b]carbazole (CID 156554523) is 5-[4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]-7-(4-phenylphenyl)indolo[2,3-b]carbazole.

What is the SMILES notation for 5-[4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]-7-(4-phenylphenyl)indolo[2,3-b]carbazole?

The canonical SMILES for 5-[4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]-7-(4-phenylphenyl)indolo[2,3-b]carbazole is c1ccc(-c2ccc(-n3c4ccccc4c4cc5c6ccccc6n(-c6nc(-c7ccccc7)nc(-c7cccc(-c8nc(-c9ccccc9)nc(-c9ccccc9)n8)c7)n6)c5cc43)cc2)cc1.

What is the InChIKey of 5-[4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]-7-(4-phenylphenyl)indolo[2,3-b]carbazole?

The InChIKey is HTJHRYAGWSKNRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H38N8/c1-5-18-39(19-6-1)40-32-34-46(35-33-40)67-51-30-15-13-28-47(51)49-37-50-48-29-14-16-31-52(48)68(54(50)38-53(49)67)60-65-57(43-24-11-4-12-25-43)64-59(66-60)45-27-17-26-44(36-45)58-62-55(41-20-7-2-8-21-41)61-56(63-58)42-22-9-3-10-23-42/h1-38H.

What are the key properties of 5-[4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]-7-(4-phenylphenyl)indolo[2,3-b]carbazole?

5-[4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]-7-(4-phenylphenyl)indolo[2,3-b]carbazole has a molecular weight of 871.02 g/mol, XLogP of 14.25, 8 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]-7-(4-phenylphenyl)indolo[2,3-b]carbazole is sourced from PubChem (CID 156554523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).