12-[3-(4,6-dinaphthalen-1-yl-1,3,5-triazin-2-yl)phenyl]-11-(3-phenylphenyl)indolo[2,3-a]carbazole

C59H37N5 — CID 155241041

About 12-[3-(4,6-dinaphthalen-1-yl-1,3,5-triazin-2-yl)phenyl]-11-(3-phenylphenyl)indolo[2,3-a]carbazole

12-[3-(4,6-dinaphthalen-1-yl-1,3,5-triazin-2-yl)phenyl]-11-(3-phenylphenyl)indolo[2,3-a]carbazole (PubChem CID 155241041) has the molecular formula C59H37N5 and a molecular weight of 815.98 g/mol. Its IUPAC name is 12-[3-(4,6-dinaphthalen-1-yl-1,3,5-triazin-2-yl)phenyl]-11-(3-phenylphenyl)indolo[2,3-a]carbazole.

Molecular Properties

• Compound Name: 12-[3-(4,6-dinaphthalen-1-yl-1,3,5-triazin-2-yl)phenyl]-11-(3-phenylphenyl)indolo[2,3-a]carbazole
• PubChem CID: 155241041
• Molecular Formula: C59H37N5
• Molecular Weight: 815.98 g/mol
• Exact Mass: 815.30
• IUPAC Name: 12-[3-(4,6-dinaphthalen-1-yl-1,3,5-triazin-2-yl)phenyl]-11-(3-phenylphenyl)indolo[2,3-a]carbazole
• SMILES: c1ccc(-c2cccc(-n3c4ccccc4c4ccc5c6ccccc6n(-c6cccc(-c7nc(-c8cccc9ccccc89)nc(-c8cccc9ccccc89)n7)c6)c5c43)c2)cc1
• InChI: InChI=1S/C59H37N5/c1-2-16-38(17-3-1)41-22-12-24-43(36-41)63-53-32-10-8-28-47(53)49-34-35-50-48-29-9-11-33-54(48)64(56(50)55(49)63)44-25-13-23-42(37-44)57-60-58(51-30-14-20-39-18-4-6-26-45(39)51)62-59(61-57)52-31-15-21-40-19-5-7-27-46(40)52/h1-37H
• InChIKey: IHPZVQLXKHZKCE-UHFFFAOYSA-N
• XLogP: 15.04
• TPSA: 48.53 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 64
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	815.98
LogP ≤ 5	15.04
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 12-[3-(4,6-dinaphthalen-1-yl-1,3,5-triazin-2-yl)phenyl]-11-(3-phenylphenyl)indolo[2,3-a]carbazole?

The IUPAC name of 12-[3-(4,6-dinaphthalen-1-yl-1,3,5-triazin-2-yl)phenyl]-11-(3-phenylphenyl)indolo[2,3-a]carbazole (CID 155241041) is 12-[3-(4,6-dinaphthalen-1-yl-1,3,5-triazin-2-yl)phenyl]-11-(3-phenylphenyl)indolo[2,3-a]carbazole.

What is the SMILES notation for 12-[3-(4,6-dinaphthalen-1-yl-1,3,5-triazin-2-yl)phenyl]-11-(3-phenylphenyl)indolo[2,3-a]carbazole?

The canonical SMILES for 12-[3-(4,6-dinaphthalen-1-yl-1,3,5-triazin-2-yl)phenyl]-11-(3-phenylphenyl)indolo[2,3-a]carbazole is c1ccc(-c2cccc(-n3c4ccccc4c4ccc5c6ccccc6n(-c6cccc(-c7nc(-c8cccc9ccccc89)nc(-c8cccc9ccccc89)n7)c6)c5c43)c2)cc1.

What is the InChIKey of 12-[3-(4,6-dinaphthalen-1-yl-1,3,5-triazin-2-yl)phenyl]-11-(3-phenylphenyl)indolo[2,3-a]carbazole?

The InChIKey is IHPZVQLXKHZKCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C59H37N5/c1-2-16-38(17-3-1)41-22-12-24-43(36-41)63-53-32-10-8-28-47(53)49-34-35-50-48-29-9-11-33-54(48)64(56(50)55(49)63)44-25-13-23-42(37-44)57-60-58(51-30-14-20-39-18-4-6-26-45(39)51)62-59(61-57)52-31-15-21-40-19-5-7-27-46(40)52/h1-37H.

What are the key properties of 12-[3-(4,6-dinaphthalen-1-yl-1,3,5-triazin-2-yl)phenyl]-11-(3-phenylphenyl)indolo[2,3-a]carbazole?

12-[3-(4,6-dinaphthalen-1-yl-1,3,5-triazin-2-yl)phenyl]-11-(3-phenylphenyl)indolo[2,3-a]carbazole has a molecular weight of 815.98 g/mol, XLogP of 15.04, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 12-[3-(4,6-dinaphthalen-1-yl-1,3,5-triazin-2-yl)phenyl]-11-(3-phenylphenyl)indolo[2,3-a]carbazole is sourced from PubChem (CID 155241041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).