2-(2-dibenzofuran-1-ylphenyl)-3-[4-naphthalen-2-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenol

C49H31N3O2 — CID 170926710

About 2-(2-dibenzofuran-1-ylphenyl)-3-[4-naphthalen-2-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenol

2-(2-dibenzofuran-1-ylphenyl)-3-[4-naphthalen-2-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenol (PubChem CID 170926710) has the molecular formula C49H31N3O2 and a molecular weight of 693.81 g/mol. Its IUPAC name is 2-(2-dibenzofuran-1-ylphenyl)-3-[4-naphthalen-2-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenol.

Molecular Properties

• Compound Name: 2-(2-dibenzofuran-1-ylphenyl)-3-[4-naphthalen-2-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenol
• PubChem CID: 170926710
• Molecular Formula: C49H31N3O2
• Molecular Weight: 693.81 g/mol
• Exact Mass: 693.24
• IUPAC Name: 2-(2-dibenzofuran-1-ylphenyl)-3-[4-naphthalen-2-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenol
• SMILES: Oc1cccc(-c2nc(-c3ccc(-c4ccccc4)cc3)nc(-c3ccc4ccccc4c3)n2)c1-c1ccccc1-c1cccc2oc3ccccc3c12
• InChI: InChI=1S/C49H31N3O2/c53-42-21-10-20-41(45(42)38-17-7-6-16-37(38)39-19-11-23-44-46(39)40-18-8-9-22-43(40)54-44)49-51-47(34-27-24-33(25-28-34)31-12-2-1-3-13-31)50-48(52-49)36-29-26-32-14-4-5-15-35(32)30-36/h1-30,53H
• InChIKey: MPNSMAWETIDIIE-UHFFFAOYSA-N
• XLogP: 12.63
• TPSA: 72.04 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 54
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	693.81
LogP ≤ 5	12.63
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 2-(2-dibenzofuran-1-ylphenyl)-3-[4-naphthalen-2-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenol?

The IUPAC name of 2-(2-dibenzofuran-1-ylphenyl)-3-[4-naphthalen-2-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenol (CID 170926710) is 2-(2-dibenzofuran-1-ylphenyl)-3-[4-naphthalen-2-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenol.

What is the SMILES notation for 2-(2-dibenzofuran-1-ylphenyl)-3-[4-naphthalen-2-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenol?

The canonical SMILES for 2-(2-dibenzofuran-1-ylphenyl)-3-[4-naphthalen-2-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenol is Oc1cccc(-c2nc(-c3ccc(-c4ccccc4)cc3)nc(-c3ccc4ccccc4c3)n2)c1-c1ccccc1-c1cccc2oc3ccccc3c12.

What is the InChIKey of 2-(2-dibenzofuran-1-ylphenyl)-3-[4-naphthalen-2-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenol?

The InChIKey is MPNSMAWETIDIIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H31N3O2/c53-42-21-10-20-41(45(42)38-17-7-6-16-37(38)39-19-11-23-44-46(39)40-18-8-9-22-43(40)54-44)49-51-47(34-27-24-33(25-28-34)31-12-2-1-3-13-31)50-48(52-49)36-29-26-32-14-4-5-15-35(32)30-36/h1-30,53H.

What are the key properties of 2-(2-dibenzofuran-1-ylphenyl)-3-[4-naphthalen-2-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenol?

2-(2-dibenzofuran-1-ylphenyl)-3-[4-naphthalen-2-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenol has a molecular weight of 693.81 g/mol, XLogP of 12.63, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(2-dibenzofuran-1-ylphenyl)-3-[4-naphthalen-2-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenol is sourced from PubChem (CID 170926710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).