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

C56H42N6 — CID 130392354

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

2-naphthalen-2-yl-4-[4-[1-[4-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]cyclohexyl]phenyl]-6-phenyl-1,3,5-triazine (PubChem CID 130392354) has the molecular formula C56H42N6 and a molecular weight of 798.99 g/mol. Its IUPAC name is 2-naphthalen-2-yl-4-[4-[1-[4-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]cyclohexyl]phenyl]-6-phenyl-1,3,5-triazine.

Molecular Properties

• Compound Name: 2-naphthalen-2-yl-4-[4-[1-[4-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]cyclohexyl]phenyl]-6-phenyl-1,3,5-triazine
• PubChem CID: 130392354
• Molecular Formula: C56H42N6
• Molecular Weight: 798.99 g/mol
• Exact Mass: 798.35
• IUPAC Name: 2-naphthalen-2-yl-4-[4-[1-[4-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]cyclohexyl]phenyl]-6-phenyl-1,3,5-triazine
• SMILES: c1ccc(-c2nc(-c3ccc(C4(c5ccc(-c6nc(-c7ccccc7)nc(-c7ccc8ccccc8c7)n6)cc5)CCCCC4)cc3)nc(-c3ccc4ccccc4c3)n2)cc1
• InChI: InChI=1S/C56H42N6/c1-4-16-40(17-5-1)50-57-52(61-54(59-50)46-24-22-38-14-8-10-20-44(38)36-46)42-26-30-48(31-27-42)56(34-12-3-13-35-56)49-32-28-43(29-33-49)53-58-51(41-18-6-2-7-19-41)60-55(62-53)47-25-23-39-15-9-11-21-45(39)37-47/h1-2,4-11,14-33,36-37H,3,12-13,34-35H2
• InChIKey: PTFZHINGBNDJAE-UHFFFAOYSA-N
• XLogP: 13.62
• TPSA: 77.34 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 8
• Heavy Atoms: 62
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	798.99
LogP ≤ 5	13.62
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of 2-naphthalen-2-yl-4-[4-[1-[4-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]cyclohexyl]phenyl]-6-phenyl-1,3,5-triazine (CID 130392354) is 2-naphthalen-2-yl-4-[4-[1-[4-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]cyclohexyl]phenyl]-6-phenyl-1,3,5-triazine.

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

The canonical SMILES for 2-naphthalen-2-yl-4-[4-[1-[4-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]cyclohexyl]phenyl]-6-phenyl-1,3,5-triazine is c1ccc(-c2nc(-c3ccc(C4(c5ccc(-c6nc(-c7ccccc7)nc(-c7ccc8ccccc8c7)n6)cc5)CCCCC4)cc3)nc(-c3ccc4ccccc4c3)n2)cc1.

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

The InChIKey is PTFZHINGBNDJAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H42N6/c1-4-16-40(17-5-1)50-57-52(61-54(59-50)46-24-22-38-14-8-10-20-44(38)36-46)42-26-30-48(31-27-42)56(34-12-3-13-35-56)49-32-28-43(29-33-49)53-58-51(41-18-6-2-7-19-41)60-55(62-53)47-25-23-39-15-9-11-21-45(39)37-47/h1-2,4-11,14-33,36-37H,3,12-13,34-35H2.

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

2-naphthalen-2-yl-4-[4-[1-[4-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]cyclohexyl]phenyl]-6-phenyl-1,3,5-triazine has a molecular weight of 798.99 g/mol, XLogP of 13.62, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-naphthalen-2-yl-4-[4-[1-[4-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]cyclohexyl]phenyl]-6-phenyl-1,3,5-triazine is sourced from PubChem (CID 130392354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).