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

C52H32F2N6 — CID 118133287

About 2-(4-fluorophenyl)-4-[3-[5-[3-[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-[3-[5-[3-[4-(4-fluorophenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]naphthalen-2-yl]phenyl]-6-phenyl-1,3,5-triazine (PubChem CID 118133287) has the molecular formula C52H32F2N6 and a molecular weight of 778.87 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-4-[3-[5-[3-[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-[3-[5-[3-[4-(4-fluorophenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]naphthalen-2-yl]phenyl]-6-phenyl-1,3,5-triazine
• PubChem CID: 118133287
• Molecular Formula: C52H32F2N6
• Molecular Weight: 778.87 g/mol
• Exact Mass: 778.27
• IUPAC Name: 2-(4-fluorophenyl)-4-[3-[5-[3-[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(-c3cccc(-c4ccc5c(-c6cccc(-c7nc(-c8ccccc8)nc(-c8ccc(F)cc8)n7)c6)cccc5c4)c3)n2)cc1
• InChI: InChI=1S/C52H32F2N6/c53-43-25-20-35(21-26-43)49-55-47(33-10-3-1-4-11-33)57-51(59-49)41-17-7-14-37(31-41)38-24-29-46-39(30-38)16-9-19-45(46)40-15-8-18-42(32-40)52-58-48(34-12-5-2-6-13-34)56-50(60-52)36-22-27-44(54)28-23-36/h1-32H
• InChIKey: LMFLEUGLAYDKDC-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-[3-[5-[3-[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-[3-[5-[3-[4-(4-fluorophenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]naphthalen-2-yl]phenyl]-6-phenyl-1,3,5-triazine (CID 118133287) is 2-(4-fluorophenyl)-4-[3-[5-[3-[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-[3-[5-[3-[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-[3-[5-[3-[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(-c3cccc(-c4ccc5c(-c6cccc(-c7nc(-c8ccccc8)nc(-c8ccc(F)cc8)n7)c6)cccc5c4)c3)n2)cc1.

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

What are the key properties of 2-(4-fluorophenyl)-4-[3-[5-[3-[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-[3-[5-[3-[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-[3-[5-[3-[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 118133287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).