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

C61H39N3O — CID 155441081

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

2-dibenzofuran-2-yl-4-naphthalen-2-yl-6-[4-(2,3,4,5-tetraphenylphenyl)phenyl]-1,3,5-triazine (PubChem CID 155441081) has the molecular formula C61H39N3O and a molecular weight of 830.00 g/mol. Its IUPAC name is 2-dibenzofuran-2-yl-4-naphthalen-2-yl-6-[4-(2,3,4,5-tetraphenylphenyl)phenyl]-1,3,5-triazine.

Molecular Properties

• Compound Name: 2-dibenzofuran-2-yl-4-naphthalen-2-yl-6-[4-(2,3,4,5-tetraphenylphenyl)phenyl]-1,3,5-triazine
• PubChem CID: 155441081
• Molecular Formula: C61H39N3O
• Molecular Weight: 830.00 g/mol
• Exact Mass: 829.31
• IUPAC Name: 2-dibenzofuran-2-yl-4-naphthalen-2-yl-6-[4-(2,3,4,5-tetraphenylphenyl)phenyl]-1,3,5-triazine
• SMILES: c1ccc(-c2cc(-c3ccc(-c4nc(-c5ccc6ccccc6c5)nc(-c5ccc6oc7ccccc7c6c5)n4)cc3)c(-c3ccccc3)c(-c3ccccc3)c2-c2ccccc2)cc1
• InChI: InChI=1S/C61H39N3O/c1-5-18-41(19-6-1)51-39-52(57(44-22-9-3-10-23-44)58(45-24-11-4-12-25-45)56(51)43-20-7-2-8-21-43)42-30-32-46(33-31-42)59-62-60(48-34-29-40-17-13-14-26-47(40)37-48)64-61(63-59)49-35-36-55-53(38-49)50-27-15-16-28-54(50)65-55/h1-39H
• InChIKey: RBURNCJFDITYMQ-UHFFFAOYSA-N
• XLogP: 16.26
• TPSA: 51.81 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 8
• Heavy Atoms: 65
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	830.00
LogP ≤ 5	16.26
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

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

The IUPAC name of 2-dibenzofuran-2-yl-4-naphthalen-2-yl-6-[4-(2,3,4,5-tetraphenylphenyl)phenyl]-1,3,5-triazine (CID 155441081) is 2-dibenzofuran-2-yl-4-naphthalen-2-yl-6-[4-(2,3,4,5-tetraphenylphenyl)phenyl]-1,3,5-triazine.

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

The canonical SMILES for 2-dibenzofuran-2-yl-4-naphthalen-2-yl-6-[4-(2,3,4,5-tetraphenylphenyl)phenyl]-1,3,5-triazine is c1ccc(-c2cc(-c3ccc(-c4nc(-c5ccc6ccccc6c5)nc(-c5ccc6oc7ccccc7c6c5)n4)cc3)c(-c3ccccc3)c(-c3ccccc3)c2-c2ccccc2)cc1.

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

The InChIKey is RBURNCJFDITYMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C61H39N3O/c1-5-18-41(19-6-1)51-39-52(57(44-22-9-3-10-23-44)58(45-24-11-4-12-25-45)56(51)43-20-7-2-8-21-43)42-30-32-46(33-31-42)59-62-60(48-34-29-40-17-13-14-26-47(40)37-48)64-61(63-59)49-35-36-55-53(38-49)50-27-15-16-28-54(50)65-55/h1-39H.

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

2-dibenzofuran-2-yl-4-naphthalen-2-yl-6-[4-(2,3,4,5-tetraphenylphenyl)phenyl]-1,3,5-triazine has a molecular weight of 830.00 g/mol, XLogP of 16.26, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2-dibenzofuran-2-yl-4-naphthalen-2-yl-6-[4-(2,3,4,5-tetraphenylphenyl)phenyl]-1,3,5-triazine is sourced from PubChem (CID 155441081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).