2-[7-[8-(3,5-diphenylphenyl)dibenzofuran-1-yl]naphthalen-2-yl]-4-naphthalen-2-yl-6-(4-naphthalen-1-ylphenyl)-1,3,5-triazine

C69H43N3O — CID 167181759

About 2-[7-[8-(3,5-diphenylphenyl)dibenzofuran-1-yl]naphthalen-2-yl]-4-naphthalen-2-yl-6-(4-naphthalen-1-ylphenyl)-1,3,5-triazine

2-[7-[8-(3,5-diphenylphenyl)dibenzofuran-1-yl]naphthalen-2-yl]-4-naphthalen-2-yl-6-(4-naphthalen-1-ylphenyl)-1,3,5-triazine (PubChem CID 167181759) has the molecular formula C69H43N3O and a molecular weight of 930.12 g/mol. Its IUPAC name is 2-[7-[8-(3,5-diphenylphenyl)dibenzofuran-1-yl]naphthalen-2-yl]-4-naphthalen-2-yl-6-(4-naphthalen-1-ylphenyl)-1,3,5-triazine.

Molecular Properties

• Compound Name: 2-[7-[8-(3,5-diphenylphenyl)dibenzofuran-1-yl]naphthalen-2-yl]-4-naphthalen-2-yl-6-(4-naphthalen-1-ylphenyl)-1,3,5-triazine
• PubChem CID: 167181759
• Molecular Formula: C69H43N3O
• Molecular Weight: 930.12 g/mol
• Exact Mass: 929.34
• IUPAC Name: 2-[7-[8-(3,5-diphenylphenyl)dibenzofuran-1-yl]naphthalen-2-yl]-4-naphthalen-2-yl-6-(4-naphthalen-1-ylphenyl)-1,3,5-triazine
• SMILES: c1ccc(-c2cc(-c3ccccc3)cc(-c3ccc4oc5cccc(-c6ccc7ccc(-c8nc(-c9ccc(-c%10cccc%11ccccc%10%11)cc9)nc(-c9ccc%10ccccc%10c9)n8)cc7c6)c5c4c3)c2)cc1
• InChI: InChI=1S/C69H43N3O/c1-3-13-44(14-4-1)57-40-58(45-15-5-2-6-16-45)42-59(41-57)52-35-36-64-63(43-52)66-62(23-12-24-65(66)73-64)53-32-25-47-27-34-55(39-56(47)38-53)69-71-67(70-68(72-69)54-33-26-46-17-7-8-19-51(46)37-54)50-30-28-49(29-31-50)61-22-11-20-48-18-9-10-21-60(48)61/h1-43H
• InChIKey: TZVUEWQPYNMGJS-UHFFFAOYSA-N
• XLogP: 18.57
• TPSA: 51.81 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 8
• Heavy Atoms: 73
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	930.12
LogP ≤ 5	18.57
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 2-[7-[8-(3,5-diphenylphenyl)dibenzofuran-1-yl]naphthalen-2-yl]-4-naphthalen-2-yl-6-(4-naphthalen-1-ylphenyl)-1,3,5-triazine?

The IUPAC name of 2-[7-[8-(3,5-diphenylphenyl)dibenzofuran-1-yl]naphthalen-2-yl]-4-naphthalen-2-yl-6-(4-naphthalen-1-ylphenyl)-1,3,5-triazine (CID 167181759) is 2-[7-[8-(3,5-diphenylphenyl)dibenzofuran-1-yl]naphthalen-2-yl]-4-naphthalen-2-yl-6-(4-naphthalen-1-ylphenyl)-1,3,5-triazine.

What is the SMILES notation for 2-[7-[8-(3,5-diphenylphenyl)dibenzofuran-1-yl]naphthalen-2-yl]-4-naphthalen-2-yl-6-(4-naphthalen-1-ylphenyl)-1,3,5-triazine?

The canonical SMILES for 2-[7-[8-(3,5-diphenylphenyl)dibenzofuran-1-yl]naphthalen-2-yl]-4-naphthalen-2-yl-6-(4-naphthalen-1-ylphenyl)-1,3,5-triazine is c1ccc(-c2cc(-c3ccccc3)cc(-c3ccc4oc5cccc(-c6ccc7ccc(-c8nc(-c9ccc(-c%10cccc%11ccccc%10%11)cc9)nc(-c9ccc%10ccccc%10c9)n8)cc7c6)c5c4c3)c2)cc1.

What is the InChIKey of 2-[7-[8-(3,5-diphenylphenyl)dibenzofuran-1-yl]naphthalen-2-yl]-4-naphthalen-2-yl-6-(4-naphthalen-1-ylphenyl)-1,3,5-triazine?

The InChIKey is TZVUEWQPYNMGJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C69H43N3O/c1-3-13-44(14-4-1)57-40-58(45-15-5-2-6-16-45)42-59(41-57)52-35-36-64-63(43-52)66-62(23-12-24-65(66)73-64)53-32-25-47-27-34-55(39-56(47)38-53)69-71-67(70-68(72-69)54-33-26-46-17-7-8-19-51(46)37-54)50-30-28-49(29-31-50)61-22-11-20-48-18-9-10-21-60(48)61/h1-43H.

What are the key properties of 2-[7-[8-(3,5-diphenylphenyl)dibenzofuran-1-yl]naphthalen-2-yl]-4-naphthalen-2-yl-6-(4-naphthalen-1-ylphenyl)-1,3,5-triazine?

2-[7-[8-(3,5-diphenylphenyl)dibenzofuran-1-yl]naphthalen-2-yl]-4-naphthalen-2-yl-6-(4-naphthalen-1-ylphenyl)-1,3,5-triazine has a molecular weight of 930.12 g/mol, XLogP of 18.57, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[7-[8-(3,5-diphenylphenyl)dibenzofuran-1-yl]naphthalen-2-yl]-4-naphthalen-2-yl-6-(4-naphthalen-1-ylphenyl)-1,3,5-triazine is sourced from PubChem (CID 167181759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).