2-naphthalen-2-yl-4-phenyl-6-[5-[7-(4-phenylnaphthalen-1-yl)dibenzofuran-1-yl]-3,4-dihydronaphthalen-1-yl]-1,3,5-triazine

C57H37N3O — CID 170145611

About 2-naphthalen-2-yl-4-phenyl-6-[5-[7-(4-phenylnaphthalen-1-yl)dibenzofuran-1-yl]-3,4-dihydronaphthalen-1-yl]-1,3,5-triazine

2-naphthalen-2-yl-4-phenyl-6-[5-[7-(4-phenylnaphthalen-1-yl)dibenzofuran-1-yl]-3,4-dihydronaphthalen-1-yl]-1,3,5-triazine (PubChem CID 170145611) has the molecular formula C57H37N3O and a molecular weight of 779.94 g/mol. Its IUPAC name is 2-naphthalen-2-yl-4-phenyl-6-[5-[7-(4-phenylnaphthalen-1-yl)dibenzofuran-1-yl]-3,4-dihydronaphthalen-1-yl]-1,3,5-triazine.

Molecular Properties

• Compound Name: 2-naphthalen-2-yl-4-phenyl-6-[5-[7-(4-phenylnaphthalen-1-yl)dibenzofuran-1-yl]-3,4-dihydronaphthalen-1-yl]-1,3,5-triazine
• PubChem CID: 170145611
• Molecular Formula: C57H37N3O
• Molecular Weight: 779.94 g/mol
• Exact Mass: 779.29
• IUPAC Name: 2-naphthalen-2-yl-4-phenyl-6-[5-[7-(4-phenylnaphthalen-1-yl)dibenzofuran-1-yl]-3,4-dihydronaphthalen-1-yl]-1,3,5-triazine
• SMILES: C1=C(c2nc(-c3ccccc3)nc(-c3ccc4ccccc4c3)n2)c2cccc(-c3cccc4oc5cc(-c6ccc(-c7ccccc7)c7ccccc67)ccc5c34)c2CC1
• InChI: InChI=1S/C57H37N3O/c1-3-15-37(16-4-1)42-32-33-43(45-21-10-9-20-44(42)45)40-30-31-51-53(35-40)61-52-27-13-25-49(54(51)52)47-23-11-24-48-46(47)22-12-26-50(48)57-59-55(38-17-5-2-6-18-38)58-56(60-57)41-29-28-36-14-7-8-19-39(36)34-41/h1-11,13-21,23-35H,12,22H2
• InChIKey: MNCIQWOUAHSEFE-UHFFFAOYSA-N
• XLogP: 14.79
• TPSA: 51.81 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 6
• Heavy Atoms: 61
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	779.94
LogP ≤ 5	14.79
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

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

The IUPAC name of 2-naphthalen-2-yl-4-phenyl-6-[5-[7-(4-phenylnaphthalen-1-yl)dibenzofuran-1-yl]-3,4-dihydronaphthalen-1-yl]-1,3,5-triazine (CID 170145611) is 2-naphthalen-2-yl-4-phenyl-6-[5-[7-(4-phenylnaphthalen-1-yl)dibenzofuran-1-yl]-3,4-dihydronaphthalen-1-yl]-1,3,5-triazine.

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

The canonical SMILES for 2-naphthalen-2-yl-4-phenyl-6-[5-[7-(4-phenylnaphthalen-1-yl)dibenzofuran-1-yl]-3,4-dihydronaphthalen-1-yl]-1,3,5-triazine is C1=C(c2nc(-c3ccccc3)nc(-c3ccc4ccccc4c3)n2)c2cccc(-c3cccc4oc5cc(-c6ccc(-c7ccccc7)c7ccccc67)ccc5c34)c2CC1.

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

The InChIKey is MNCIQWOUAHSEFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C57H37N3O/c1-3-15-37(16-4-1)42-32-33-43(45-21-10-9-20-44(42)45)40-30-31-51-53(35-40)61-52-27-13-25-49(54(51)52)47-23-11-24-48-46(47)22-12-26-50(48)57-59-55(38-17-5-2-6-18-38)58-56(60-57)41-29-28-36-14-7-8-19-39(36)34-41/h1-11,13-21,23-35H,12,22H2.

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

2-naphthalen-2-yl-4-phenyl-6-[5-[7-(4-phenylnaphthalen-1-yl)dibenzofuran-1-yl]-3,4-dihydronaphthalen-1-yl]-1,3,5-triazine has a molecular weight of 779.94 g/mol, XLogP of 14.79, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2-naphthalen-2-yl-4-phenyl-6-[5-[7-(4-phenylnaphthalen-1-yl)dibenzofuran-1-yl]-3,4-dihydronaphthalen-1-yl]-1,3,5-triazine is sourced from PubChem (CID 170145611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).