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

C63H37N3O2 — CID 166743109

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

2-[4-(7-dibenzofuran-1-yldibenzofuran-1-yl)naphthalen-1-yl]-4-naphthalen-2-yl-6-(4-naphthalen-1-ylphenyl)-1,3,5-triazine (PubChem CID 166743109) has the molecular formula C63H37N3O2 and a molecular weight of 868.01 g/mol. Its IUPAC name is 2-[4-(7-dibenzofuran-1-yldibenzofuran-1-yl)naphthalen-1-yl]-4-naphthalen-2-yl-6-(4-naphthalen-1-ylphenyl)-1,3,5-triazine.

Molecular Properties

• Compound Name: 2-[4-(7-dibenzofuran-1-yldibenzofuran-1-yl)naphthalen-1-yl]-4-naphthalen-2-yl-6-(4-naphthalen-1-ylphenyl)-1,3,5-triazine
• PubChem CID: 166743109
• Molecular Formula: C63H37N3O2
• Molecular Weight: 868.01 g/mol
• Exact Mass: 867.29
• IUPAC Name: 2-[4-(7-dibenzofuran-1-yldibenzofuran-1-yl)naphthalen-1-yl]-4-naphthalen-2-yl-6-(4-naphthalen-1-ylphenyl)-1,3,5-triazine
• SMILES: c1ccc2cc(-c3nc(-c4ccc(-c5cccc6ccccc56)cc4)nc(-c4ccc(-c5cccc6oc7cc(-c8cccc9oc%10ccccc%10c89)ccc7c56)c5ccccc45)n3)ccc2c1
• InChI: InChI=1S/C63H37N3O2/c1-2-14-42-36-44(31-26-38(42)12-1)62-64-61(41-29-27-40(28-30-41)46-20-9-15-39-13-3-4-16-45(39)46)65-63(66-62)52-35-34-50(48-17-5-6-18-49(48)52)51-22-11-25-57-60(51)54-33-32-43(37-58(54)68-57)47-21-10-24-56-59(47)53-19-7-8-23-55(53)67-56/h1-37H
• InChIKey: ZEDNIJKLXAHEHA-UHFFFAOYSA-N
• XLogP: 17.13
• TPSA: 64.95 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 68
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	868.01
LogP ≤ 5	17.13
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of 2-[4-(7-dibenzofuran-1-yldibenzofuran-1-yl)naphthalen-1-yl]-4-naphthalen-2-yl-6-(4-naphthalen-1-ylphenyl)-1,3,5-triazine (CID 166743109) is 2-[4-(7-dibenzofuran-1-yldibenzofuran-1-yl)naphthalen-1-yl]-4-naphthalen-2-yl-6-(4-naphthalen-1-ylphenyl)-1,3,5-triazine.

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

The canonical SMILES for 2-[4-(7-dibenzofuran-1-yldibenzofuran-1-yl)naphthalen-1-yl]-4-naphthalen-2-yl-6-(4-naphthalen-1-ylphenyl)-1,3,5-triazine is c1ccc2cc(-c3nc(-c4ccc(-c5cccc6ccccc56)cc4)nc(-c4ccc(-c5cccc6oc7cc(-c8cccc9oc%10ccccc%10c89)ccc7c56)c5ccccc45)n3)ccc2c1.

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

The InChIKey is ZEDNIJKLXAHEHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C63H37N3O2/c1-2-14-42-36-44(31-26-38(42)12-1)62-64-61(41-29-27-40(28-30-41)46-20-9-15-39-13-3-4-16-45(39)46)65-63(66-62)52-35-34-50(48-17-5-6-18-49(48)52)51-22-11-25-57-60(51)54-33-32-43(37-58(54)68-57)47-21-10-24-56-59(47)53-19-7-8-23-55(53)67-56/h1-37H.

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

2-[4-(7-dibenzofuran-1-yldibenzofuran-1-yl)naphthalen-1-yl]-4-naphthalen-2-yl-6-(4-naphthalen-1-ylphenyl)-1,3,5-triazine has a molecular weight of 868.01 g/mol, XLogP of 17.13, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[4-(7-dibenzofuran-1-yldibenzofuran-1-yl)naphthalen-1-yl]-4-naphthalen-2-yl-6-(4-naphthalen-1-ylphenyl)-1,3,5-triazine is sourced from PubChem (CID 166743109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).