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

C49H30N4O — CID 162504557

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

9-[3-[4-dibenzofuran-1-yl-6-(4-phenylnaphthalen-1-yl)-1,3,5-triazin-2-yl]phenyl]carbazole (PubChem CID 162504557) has the molecular formula C49H30N4O and a molecular weight of 690.81 g/mol. Its IUPAC name is 9-[3-[4-dibenzofuran-1-yl-6-(4-phenylnaphthalen-1-yl)-1,3,5-triazin-2-yl]phenyl]carbazole.

Molecular Properties

• Compound Name: 9-[3-[4-dibenzofuran-1-yl-6-(4-phenylnaphthalen-1-yl)-1,3,5-triazin-2-yl]phenyl]carbazole
• PubChem CID: 162504557
• Molecular Formula: C49H30N4O
• Molecular Weight: 690.81 g/mol
• Exact Mass: 690.24
• IUPAC Name: 9-[3-[4-dibenzofuran-1-yl-6-(4-phenylnaphthalen-1-yl)-1,3,5-triazin-2-yl]phenyl]carbazole
• SMILES: c1ccc(-c2ccc(-c3nc(-c4cccc(-n5c6ccccc6c6ccccc65)c4)nc(-c4cccc5oc6ccccc6c45)n3)c3ccccc23)cc1
• InChI: InChI=1S/C49H30N4O/c1-2-14-31(15-3-1)34-28-29-39(36-19-5-4-18-35(34)36)48-50-47(51-49(52-48)41-23-13-27-45-46(41)40-22-8-11-26-44(40)54-45)32-16-12-17-33(30-32)53-42-24-9-6-20-37(42)38-21-7-10-25-43(38)53/h1-30H
• InChIKey: VOASBKLJKHRAGJ-UHFFFAOYSA-N
• XLogP: 12.69
• TPSA: 56.74 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 54
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	690.81
LogP ≤ 5	12.69
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 9-[3-[4-dibenzofuran-1-yl-6-(4-phenylnaphthalen-1-yl)-1,3,5-triazin-2-yl]phenyl]carbazole?

The IUPAC name of 9-[3-[4-dibenzofuran-1-yl-6-(4-phenylnaphthalen-1-yl)-1,3,5-triazin-2-yl]phenyl]carbazole (CID 162504557) is 9-[3-[4-dibenzofuran-1-yl-6-(4-phenylnaphthalen-1-yl)-1,3,5-triazin-2-yl]phenyl]carbazole.

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

The canonical SMILES for 9-[3-[4-dibenzofuran-1-yl-6-(4-phenylnaphthalen-1-yl)-1,3,5-triazin-2-yl]phenyl]carbazole is c1ccc(-c2ccc(-c3nc(-c4cccc(-n5c6ccccc6c6ccccc65)c4)nc(-c4cccc5oc6ccccc6c45)n3)c3ccccc23)cc1.

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

The InChIKey is VOASBKLJKHRAGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H30N4O/c1-2-14-31(15-3-1)34-28-29-39(36-19-5-4-18-35(34)36)48-50-47(51-49(52-48)41-23-13-27-45-46(41)40-22-8-11-26-44(40)54-45)32-16-12-17-33(30-32)53-42-24-9-6-20-37(42)38-21-7-10-25-43(38)53/h1-30H.

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

9-[3-[4-dibenzofuran-1-yl-6-(4-phenylnaphthalen-1-yl)-1,3,5-triazin-2-yl]phenyl]carbazole has a molecular weight of 690.81 g/mol, XLogP of 12.69, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 9-[3-[4-dibenzofuran-1-yl-6-(4-phenylnaphthalen-1-yl)-1,3,5-triazin-2-yl]phenyl]carbazole is sourced from PubChem (CID 162504557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).