2-dibenzofuran-2-yl-4-naphthalen-2-yl-6-(4-naphtho[2,3-b][1]benzofuran-1-ylphenyl)-1,3,5-triazine

C47H27N3O2 — CID 163806375

About 2-dibenzofuran-2-yl-4-naphthalen-2-yl-6-(4-naphtho[2,3-b][1]benzofuran-1-ylphenyl)-1,3,5-triazine

2-dibenzofuran-2-yl-4-naphthalen-2-yl-6-(4-naphtho[2,3-b][1]benzofuran-1-ylphenyl)-1,3,5-triazine (PubChem CID 163806375) has the molecular formula C47H27N3O2 and a molecular weight of 665.75 g/mol. Its IUPAC name is 2-dibenzofuran-2-yl-4-naphthalen-2-yl-6-(4-naphtho[2,3-b][1]benzofuran-1-ylphenyl)-1,3,5-triazine.

Molecular Properties

• Compound Name: 2-dibenzofuran-2-yl-4-naphthalen-2-yl-6-(4-naphtho[2,3-b][1]benzofuran-1-ylphenyl)-1,3,5-triazine
• PubChem CID: 163806375
• Molecular Formula: C47H27N3O2
• Molecular Weight: 665.75 g/mol
• Exact Mass: 665.21
• IUPAC Name: 2-dibenzofuran-2-yl-4-naphthalen-2-yl-6-(4-naphtho[2,3-b][1]benzofuran-1-ylphenyl)-1,3,5-triazine
• SMILES: c1ccc2cc(-c3nc(-c4ccc(-c5cccc6oc7cc8ccccc8cc7c56)cc4)nc(-c4ccc5oc6ccccc6c5c4)n3)ccc2c1
• InChI: InChI=1S/C47H27N3O2/c1-2-9-31-24-34(21-16-28(31)8-1)46-48-45(49-47(50-46)35-22-23-41-38(26-35)37-12-5-6-14-40(37)51-41)30-19-17-29(18-20-30)36-13-7-15-42-44(36)39-25-32-10-3-4-11-33(32)27-43(39)52-42/h1-27H
• InChIKey: VWLRHZHODLXSHX-UHFFFAOYSA-N
• XLogP: 12.64
• TPSA: 64.95 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 52
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	665.75
LogP ≤ 5	12.64
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of 2-dibenzofuran-2-yl-4-naphthalen-2-yl-6-(4-naphtho[2,3-b][1]benzofuran-1-ylphenyl)-1,3,5-triazine (CID 163806375) is 2-dibenzofuran-2-yl-4-naphthalen-2-yl-6-(4-naphtho[2,3-b][1]benzofuran-1-ylphenyl)-1,3,5-triazine.

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

The canonical SMILES for 2-dibenzofuran-2-yl-4-naphthalen-2-yl-6-(4-naphtho[2,3-b][1]benzofuran-1-ylphenyl)-1,3,5-triazine is c1ccc2cc(-c3nc(-c4ccc(-c5cccc6oc7cc8ccccc8cc7c56)cc4)nc(-c4ccc5oc6ccccc6c5c4)n3)ccc2c1.

What is the InChIKey of 2-dibenzofuran-2-yl-4-naphthalen-2-yl-6-(4-naphtho[2,3-b][1]benzofuran-1-ylphenyl)-1,3,5-triazine?

The InChIKey is VWLRHZHODLXSHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C47H27N3O2/c1-2-9-31-24-34(21-16-28(31)8-1)46-48-45(49-47(50-46)35-22-23-41-38(26-35)37-12-5-6-14-40(37)51-41)30-19-17-29(18-20-30)36-13-7-15-42-44(36)39-25-32-10-3-4-11-33(32)27-43(39)52-42/h1-27H.

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

2-dibenzofuran-2-yl-4-naphthalen-2-yl-6-(4-naphtho[2,3-b][1]benzofuran-1-ylphenyl)-1,3,5-triazine has a molecular weight of 665.75 g/mol, XLogP of 12.64, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-dibenzofuran-2-yl-4-naphthalen-2-yl-6-(4-naphtho[2,3-b][1]benzofuran-1-ylphenyl)-1,3,5-triazine is sourced from PubChem (CID 163806375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).