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

C51H29N3O2 — CID 163856870

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

2-dibenzofuran-4-yl-4-naphthalen-2-yl-6-(4-naphtho[2,3-b][1]benzofuran-2-ylnaphthalen-1-yl)-1,3,5-triazine (PubChem CID 163856870) has the molecular formula C51H29N3O2 and a molecular weight of 715.81 g/mol. Its IUPAC name is 2-dibenzofuran-4-yl-4-naphthalen-2-yl-6-(4-naphtho[2,3-b][1]benzofuran-2-ylnaphthalen-1-yl)-1,3,5-triazine.

Molecular Properties

• Compound Name: 2-dibenzofuran-4-yl-4-naphthalen-2-yl-6-(4-naphtho[2,3-b][1]benzofuran-2-ylnaphthalen-1-yl)-1,3,5-triazine
• PubChem CID: 163856870
• Molecular Formula: C51H29N3O2
• Molecular Weight: 715.81 g/mol
• Exact Mass: 715.23
• IUPAC Name: 2-dibenzofuran-4-yl-4-naphthalen-2-yl-6-(4-naphtho[2,3-b][1]benzofuran-2-ylnaphthalen-1-yl)-1,3,5-triazine
• SMILES: c1ccc2cc(-c3nc(-c4ccc(-c5ccc6oc7cc8ccccc8cc7c6c5)c5ccccc45)nc(-c4cccc5c4oc4ccccc45)n3)ccc2c1
• InChI: InChI=1S/C51H29N3O2/c1-2-11-31-26-35(21-20-30(31)10-1)49-52-50(54-51(53-49)42-18-9-17-40-39-16-7-8-19-45(39)56-48(40)42)41-24-23-36(37-14-5-6-15-38(37)41)34-22-25-46-43(28-34)44-27-32-12-3-4-13-33(32)29-47(44)55-46/h1-29H
• InChIKey: ATTFPKDSDVQLCY-UHFFFAOYSA-N
• XLogP: 13.80
• TPSA: 64.95 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 56
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	715.81
LogP ≤ 5	13.80
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of 2-dibenzofuran-4-yl-4-naphthalen-2-yl-6-(4-naphtho[2,3-b][1]benzofuran-2-ylnaphthalen-1-yl)-1,3,5-triazine (CID 163856870) is 2-dibenzofuran-4-yl-4-naphthalen-2-yl-6-(4-naphtho[2,3-b][1]benzofuran-2-ylnaphthalen-1-yl)-1,3,5-triazine.

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

The canonical SMILES for 2-dibenzofuran-4-yl-4-naphthalen-2-yl-6-(4-naphtho[2,3-b][1]benzofuran-2-ylnaphthalen-1-yl)-1,3,5-triazine is c1ccc2cc(-c3nc(-c4ccc(-c5ccc6oc7cc8ccccc8cc7c6c5)c5ccccc45)nc(-c4cccc5c4oc4ccccc45)n3)ccc2c1.

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

The InChIKey is ATTFPKDSDVQLCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H29N3O2/c1-2-11-31-26-35(21-20-30(31)10-1)49-52-50(54-51(53-49)42-18-9-17-40-39-16-7-8-19-45(39)56-48(40)42)41-24-23-36(37-14-5-6-15-38(37)41)34-22-25-46-43(28-34)44-27-32-12-3-4-13-33(32)29-47(44)55-46/h1-29H.

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

2-dibenzofuran-4-yl-4-naphthalen-2-yl-6-(4-naphtho[2,3-b][1]benzofuran-2-ylnaphthalen-1-yl)-1,3,5-triazine has a molecular weight of 715.81 g/mol, XLogP of 13.80, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-dibenzofuran-4-yl-4-naphthalen-2-yl-6-(4-naphtho[2,3-b][1]benzofuran-2-ylnaphthalen-1-yl)-1,3,5-triazine is sourced from PubChem (CID 163856870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).