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

C42H27N3O — CID 177112954

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

2-dibenzofuran-1-yl-4-[6-(2-methylphenyl)naphthalen-2-yl]-6-naphthalen-2-yl-1,3,5-triazine (PubChem CID 177112954) has the molecular formula C42H27N3O and a molecular weight of 589.70 g/mol. Its IUPAC name is 2-dibenzofuran-1-yl-4-[6-(2-methylphenyl)naphthalen-2-yl]-6-naphthalen-2-yl-1,3,5-triazine.

Molecular Properties

• Compound Name: 2-dibenzofuran-1-yl-4-[6-(2-methylphenyl)naphthalen-2-yl]-6-naphthalen-2-yl-1,3,5-triazine
• PubChem CID: 177112954
• Molecular Formula: C42H27N3O
• Molecular Weight: 589.70 g/mol
• Exact Mass: 589.22
• IUPAC Name: 2-dibenzofuran-1-yl-4-[6-(2-methylphenyl)naphthalen-2-yl]-6-naphthalen-2-yl-1,3,5-triazine
• SMILES: Cc1ccccc1-c1ccc2cc(-c3nc(-c4ccc5ccccc5c4)nc(-c4cccc5oc6ccccc6c45)n3)ccc2c1
• InChI: InChI=1S/C42H27N3O/c1-26-9-2-5-12-34(26)31-20-18-30-25-33(22-19-29(30)23-31)41-43-40(32-21-17-27-10-3-4-11-28(27)24-32)44-42(45-41)36-14-8-16-38-39(36)35-13-6-7-15-37(35)46-38/h2-25H,1H3
• InChIKey: IZERBPADRJXMNV-UHFFFAOYSA-N
• XLogP: 11.05
• TPSA: 51.81 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 4
• Heavy Atoms: 46
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	589.70
LogP ≤ 5	11.05
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

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

The IUPAC name of 2-dibenzofuran-1-yl-4-[6-(2-methylphenyl)naphthalen-2-yl]-6-naphthalen-2-yl-1,3,5-triazine (CID 177112954) is 2-dibenzofuran-1-yl-4-[6-(2-methylphenyl)naphthalen-2-yl]-6-naphthalen-2-yl-1,3,5-triazine.

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

The canonical SMILES for 2-dibenzofuran-1-yl-4-[6-(2-methylphenyl)naphthalen-2-yl]-6-naphthalen-2-yl-1,3,5-triazine is Cc1ccccc1-c1ccc2cc(-c3nc(-c4ccc5ccccc5c4)nc(-c4cccc5oc6ccccc6c45)n3)ccc2c1.

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

The InChIKey is IZERBPADRJXMNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H27N3O/c1-26-9-2-5-12-34(26)31-20-18-30-25-33(22-19-29(30)23-31)41-43-40(32-21-17-27-10-3-4-11-28(27)24-32)44-42(45-41)36-14-8-16-38-39(36)35-13-6-7-15-37(35)46-38/h2-25H,1H3.

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

2-dibenzofuran-1-yl-4-[6-(2-methylphenyl)naphthalen-2-yl]-6-naphthalen-2-yl-1,3,5-triazine has a molecular weight of 589.70 g/mol, XLogP of 11.05, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2-dibenzofuran-1-yl-4-[6-(2-methylphenyl)naphthalen-2-yl]-6-naphthalen-2-yl-1,3,5-triazine is sourced from PubChem (CID 177112954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).