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

C48H32N6O — CID 155050379

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

2-[4-[4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenoxy]phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine (PubChem CID 155050379) has the molecular formula C48H32N6O and a molecular weight of 708.83 g/mol. Its IUPAC name is 2-[4-[4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenoxy]phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine.

Molecular Properties

• Compound Name: 2-[4-[4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenoxy]phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine
• PubChem CID: 155050379
• Molecular Formula: C48H32N6O
• Molecular Weight: 708.83 g/mol
• Exact Mass: 708.26
• IUPAC Name: 2-[4-[4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenoxy]phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine
• SMILES: c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-c4ccc(Oc5cccc(-c6nc(-c7ccccc7)nc(-c7ccccc7)n6)c5)cc4)cc3)n2)cc1
• InChI: InChI=1S/C48H32N6O/c1-5-14-35(15-6-1)43-49-44(36-16-7-2-8-17-36)52-47(51-43)39-26-24-33(25-27-39)34-28-30-41(31-29-34)55-42-23-13-22-40(32-42)48-53-45(37-18-9-3-10-19-37)50-46(54-48)38-20-11-4-12-21-38/h1-32H
• InChIKey: UOAMMWUOCMHXQW-UHFFFAOYSA-N
• XLogP: 11.52
• TPSA: 86.57 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 9
• Heavy Atoms: 55
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	708.83
LogP ≤ 5	11.52
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

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

The IUPAC name of 2-[4-[4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenoxy]phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine (CID 155050379) is 2-[4-[4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenoxy]phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine.

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

The canonical SMILES for 2-[4-[4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenoxy]phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine is c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-c4ccc(Oc5cccc(-c6nc(-c7ccccc7)nc(-c7ccccc7)n6)c5)cc4)cc3)n2)cc1.

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

The InChIKey is UOAMMWUOCMHXQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H32N6O/c1-5-14-35(15-6-1)43-49-44(36-16-7-2-8-17-36)52-47(51-43)39-26-24-33(25-27-39)34-28-30-41(31-29-34)55-42-23-13-22-40(32-42)48-53-45(37-18-9-3-10-19-37)50-46(54-48)38-20-11-4-12-21-38/h1-32H.

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

2-[4-[4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenoxy]phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine has a molecular weight of 708.83 g/mol, XLogP of 11.52, 9 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[4-[4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenoxy]phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine is sourced from PubChem (CID 155050379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).