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

C66H38N6O2 — CID 153466225

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

2-[3,5-di(dibenzofuran-4-yl)phenyl]-4-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)-6-naphthalen-2-yl-1,3,5-triazine (PubChem CID 153466225) has the molecular formula C66H38N6O2 and a molecular weight of 947.07 g/mol. Its IUPAC name is 2-[3,5-di(dibenzofuran-4-yl)phenyl]-4-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)-6-naphthalen-2-yl-1,3,5-triazine.

Molecular Properties

• Compound Name: 2-[3,5-di(dibenzofuran-4-yl)phenyl]-4-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)-6-naphthalen-2-yl-1,3,5-triazine
• PubChem CID: 153466225
• Molecular Formula: C66H38N6O2
• Molecular Weight: 947.07 g/mol
• Exact Mass: 946.31
• IUPAC Name: 2-[3,5-di(dibenzofuran-4-yl)phenyl]-4-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)-6-naphthalen-2-yl-1,3,5-triazine
• SMILES: c1ccc2cc(-c3nc(-c4cc(-c5cccc6c5oc5ccccc56)cc(-c5cccc6c5oc5ccccc56)c4)nc(-c4nc(-c5ccc6ccccc6c5)nc(-c5ccc6ccccc6c5)n4)n3)ccc2c1
• InChI: InChI=1S/C66H38N6O2/c1-4-16-42-33-45(30-27-39(42)13-1)61-67-62(46-31-28-40-14-2-5-17-43(40)34-46)70-65(69-61)66-71-63(47-32-29-41-15-3-6-18-44(41)35-47)68-64(72-66)50-37-48(51-21-11-23-55-53-19-7-9-25-57(53)73-59(51)55)36-49(38-50)52-22-12-24-56-54-20-8-10-26-58(54)74-60(52)56/h1-38H
• InChIKey: LVSZIPLNKACFIJ-UHFFFAOYSA-N
• XLogP: 16.98
• TPSA: 103.62 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 7
• Heavy Atoms: 74
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	947.07
LogP ≤ 5	16.98
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

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

The IUPAC name of 2-[3,5-di(dibenzofuran-4-yl)phenyl]-4-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)-6-naphthalen-2-yl-1,3,5-triazine (CID 153466225) is 2-[3,5-di(dibenzofuran-4-yl)phenyl]-4-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)-6-naphthalen-2-yl-1,3,5-triazine.

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

The canonical SMILES for 2-[3,5-di(dibenzofuran-4-yl)phenyl]-4-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)-6-naphthalen-2-yl-1,3,5-triazine is c1ccc2cc(-c3nc(-c4cc(-c5cccc6c5oc5ccccc56)cc(-c5cccc6c5oc5ccccc56)c4)nc(-c4nc(-c5ccc6ccccc6c5)nc(-c5ccc6ccccc6c5)n4)n3)ccc2c1.

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

The InChIKey is LVSZIPLNKACFIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C66H38N6O2/c1-4-16-42-33-45(30-27-39(42)13-1)61-67-62(46-31-28-40-14-2-5-17-43(40)34-46)70-65(69-61)66-71-63(47-32-29-41-15-3-6-18-44(41)35-47)68-64(72-66)50-37-48(51-21-11-23-55-53-19-7-9-25-57(53)73-59(51)55)36-49(38-50)52-22-12-24-56-54-20-8-10-26-58(54)74-60(52)56/h1-38H.

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

2-[3,5-di(dibenzofuran-4-yl)phenyl]-4-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)-6-naphthalen-2-yl-1,3,5-triazine has a molecular weight of 947.07 g/mol, XLogP of 16.98, 7 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[3,5-di(dibenzofuran-4-yl)phenyl]-4-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)-6-naphthalen-2-yl-1,3,5-triazine is sourced from PubChem (CID 153466225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).