2-(4-fluorophenyl)-4-[4-[7-[4-[4-(4-fluorophenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]naphthalen-2-yl]phenyl]-6-phenyl-1,3,5-triazine

C52H32F2N6 — CID 118075133

About 2-(4-fluorophenyl)-4-[4-[7-[4-[4-(4-fluorophenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]naphthalen-2-yl]phenyl]-6-phenyl-1,3,5-triazine

2-(4-fluorophenyl)-4-[4-[7-[4-[4-(4-fluorophenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]naphthalen-2-yl]phenyl]-6-phenyl-1,3,5-triazine (PubChem CID 118075133) has the molecular formula C52H32F2N6 and a molecular weight of 778.87 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-4-[4-[7-[4-[4-(4-fluorophenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]naphthalen-2-yl]phenyl]-6-phenyl-1,3,5-triazine.

Molecular Properties

• Compound Name: 2-(4-fluorophenyl)-4-[4-[7-[4-[4-(4-fluorophenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]naphthalen-2-yl]phenyl]-6-phenyl-1,3,5-triazine
• PubChem CID: 118075133
• Molecular Formula: C52H32F2N6
• Molecular Weight: 778.87 g/mol
• Exact Mass: 778.27
• IUPAC Name: 2-(4-fluorophenyl)-4-[4-[7-[4-[4-(4-fluorophenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]naphthalen-2-yl]phenyl]-6-phenyl-1,3,5-triazine
• SMILES: Fc1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-c4ccc5ccc(-c6ccc(-c7nc(-c8ccccc8)nc(-c8ccc(F)cc8)n7)cc6)cc5c4)cc3)n2)cc1
• InChI: InChI=1S/C52H32F2N6/c53-45-27-23-40(24-28-45)51-57-47(36-7-3-1-4-8-36)55-49(59-51)38-17-11-33(12-18-38)42-21-15-35-16-22-43(32-44(35)31-42)34-13-19-39(20-14-34)50-56-48(37-9-5-2-6-10-37)58-52(60-50)41-25-29-46(54)30-26-41/h1-32H
• InChIKey: TUWQLAKKDSMBOA-UHFFFAOYSA-N
• XLogP: 12.82
• TPSA: 77.34 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 8
• Heavy Atoms: 60
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	778.87
LogP ≤ 5	12.82
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-4-[4-[7-[4-[4-(4-fluorophenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]naphthalen-2-yl]phenyl]-6-phenyl-1,3,5-triazine?

The IUPAC name of 2-(4-fluorophenyl)-4-[4-[7-[4-[4-(4-fluorophenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]naphthalen-2-yl]phenyl]-6-phenyl-1,3,5-triazine (CID 118075133) is 2-(4-fluorophenyl)-4-[4-[7-[4-[4-(4-fluorophenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]naphthalen-2-yl]phenyl]-6-phenyl-1,3,5-triazine.

What is the SMILES notation for 2-(4-fluorophenyl)-4-[4-[7-[4-[4-(4-fluorophenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]naphthalen-2-yl]phenyl]-6-phenyl-1,3,5-triazine?

The canonical SMILES for 2-(4-fluorophenyl)-4-[4-[7-[4-[4-(4-fluorophenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]naphthalen-2-yl]phenyl]-6-phenyl-1,3,5-triazine is Fc1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-c4ccc5ccc(-c6ccc(-c7nc(-c8ccccc8)nc(-c8ccc(F)cc8)n7)cc6)cc5c4)cc3)n2)cc1.

What is the InChIKey of 2-(4-fluorophenyl)-4-[4-[7-[4-[4-(4-fluorophenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]naphthalen-2-yl]phenyl]-6-phenyl-1,3,5-triazine?

The InChIKey is TUWQLAKKDSMBOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H32F2N6/c53-45-27-23-40(24-28-45)51-57-47(36-7-3-1-4-8-36)55-49(59-51)38-17-11-33(12-18-38)42-21-15-35-16-22-43(32-44(35)31-42)34-13-19-39(20-14-34)50-56-48(37-9-5-2-6-10-37)58-52(60-50)41-25-29-46(54)30-26-41/h1-32H.

What are the key properties of 2-(4-fluorophenyl)-4-[4-[7-[4-[4-(4-fluorophenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]naphthalen-2-yl]phenyl]-6-phenyl-1,3,5-triazine?

2-(4-fluorophenyl)-4-[4-[7-[4-[4-(4-fluorophenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]naphthalen-2-yl]phenyl]-6-phenyl-1,3,5-triazine has a molecular weight of 778.87 g/mol, XLogP of 12.82, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(4-fluorophenyl)-4-[4-[7-[4-[4-(4-fluorophenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]naphthalen-2-yl]phenyl]-6-phenyl-1,3,5-triazine is sourced from PubChem (CID 118075133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).