5-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]-12-naphthalen-2-ylindolo[3,2-c]carbazole

C53H33N5 — CID 156531291

About 5-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]-12-naphthalen-2-ylindolo[3,2-c]carbazole

5-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]-12-naphthalen-2-ylindolo[3,2-c]carbazole (PubChem CID 156531291) has the molecular formula C53H33N5 and a molecular weight of 739.88 g/mol. Its IUPAC name is 5-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]-12-naphthalen-2-ylindolo[3,2-c]carbazole.

Molecular Properties

• Compound Name: 5-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]-12-naphthalen-2-ylindolo[3,2-c]carbazole
• PubChem CID: 156531291
• Molecular Formula: C53H33N5
• Molecular Weight: 739.88 g/mol
• Exact Mass: 739.27
• IUPAC Name: 5-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]-12-naphthalen-2-ylindolo[3,2-c]carbazole
• SMILES: c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc4c(-n5c6ccccc6c6c5ccc5c7ccccc7n(-c7ccc8ccccc8c7)c56)cccc4c3)n2)cc1
• InChI: InChI=1S/C53H33N5/c1-3-15-35(16-4-1)51-54-52(36-17-5-2-6-18-36)56-53(55-51)39-27-29-41-38(32-39)20-13-25-45(41)58-47-24-12-10-22-44(47)49-48(58)31-30-43-42-21-9-11-23-46(42)57(50(43)49)40-28-26-34-14-7-8-19-37(34)33-40/h1-33H
• InChIKey: NAHBIEVXIYQQEB-UHFFFAOYSA-N
• XLogP: 13.37
• TPSA: 48.53 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 58
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	739.88
LogP ≤ 5	13.37
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 5-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]-12-naphthalen-2-ylindolo[3,2-c]carbazole?

The IUPAC name of 5-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]-12-naphthalen-2-ylindolo[3,2-c]carbazole (CID 156531291) is 5-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]-12-naphthalen-2-ylindolo[3,2-c]carbazole.

What is the SMILES notation for 5-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]-12-naphthalen-2-ylindolo[3,2-c]carbazole?

The canonical SMILES for 5-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]-12-naphthalen-2-ylindolo[3,2-c]carbazole is c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc4c(-n5c6ccccc6c6c5ccc5c7ccccc7n(-c7ccc8ccccc8c7)c56)cccc4c3)n2)cc1.

What is the InChIKey of 5-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]-12-naphthalen-2-ylindolo[3,2-c]carbazole?

The InChIKey is NAHBIEVXIYQQEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C53H33N5/c1-3-15-35(16-4-1)51-54-52(36-17-5-2-6-18-36)56-53(55-51)39-27-29-41-38(32-39)20-13-25-45(41)58-47-24-12-10-22-44(47)49-48(58)31-30-43-42-21-9-11-23-46(42)57(50(43)49)40-28-26-34-14-7-8-19-37(34)33-40/h1-33H.

What are the key properties of 5-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]-12-naphthalen-2-ylindolo[3,2-c]carbazole?

5-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]-12-naphthalen-2-ylindolo[3,2-c]carbazole has a molecular weight of 739.88 g/mol, XLogP of 13.37, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]-12-naphthalen-2-ylindolo[3,2-c]carbazole is sourced from PubChem (CID 156531291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).