2-dibenzofuran-1-yl-4-[4-(2,8-dideuteriodibenzofuran-1-yl)naphthalen-1-yl]-6-(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazine

C43H25N3O2 — CID 171457215

About 2-dibenzofuran-1-yl-4-[4-(2,8-dideuteriodibenzofuran-1-yl)naphthalen-1-yl]-6-(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazine

2-dibenzofuran-1-yl-4-[4-(2,8-dideuteriodibenzofuran-1-yl)naphthalen-1-yl]-6-(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazine (PubChem CID 171457215) has the molecular formula C43H25N3O2 and a molecular weight of 622.73 g/mol. Its IUPAC name is 2-dibenzofuran-1-yl-4-[4-(2,8-dideuteriodibenzofuran-1-yl)naphthalen-1-yl]-6-(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazine.

Molecular Properties

• Compound Name: 2-dibenzofuran-1-yl-4-[4-(2,8-dideuteriodibenzofuran-1-yl)naphthalen-1-yl]-6-(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazine
• PubChem CID: 171457215
• Molecular Formula: C43H25N3O2
• Molecular Weight: 622.73 g/mol
• Exact Mass: 622.24
• IUPAC Name: 2-dibenzofuran-1-yl-4-[4-(2,8-dideuteriodibenzofuran-1-yl)naphthalen-1-yl]-6-(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazine
• SMILES: [2H]c1ccc2oc3ccc([2H])c(-c4ccc(-c5nc(-c6c([2H])c([2H])c([2H])c([2H])c6[2H])nc(-c6cccc7oc8ccccc8c67)n5)c5ccccc45)c3c2c1
• InChI: InChI=1S/C43H25N3O2/c1-2-12-26(13-3-1)41-44-42(46-43(45-41)34-19-11-23-38-40(34)33-17-7-9-21-36(33)48-38)31-25-24-29(27-14-4-5-15-28(27)31)30-18-10-22-37-39(30)32-16-6-8-20-35(32)47-37/h1-25H/i1D,2D,3D,6D,12D,13D,18D
• InChIKey: DZQYHHAGMAKGSF-ALNKVSCSSA-N
• XLogP: 11.49
• TPSA: 64.95 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 48
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	622.73
LogP ≤ 5	11.49
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 2-dibenzofuran-1-yl-4-[4-(2,8-dideuteriodibenzofuran-1-yl)naphthalen-1-yl]-6-(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazine?

The IUPAC name of 2-dibenzofuran-1-yl-4-[4-(2,8-dideuteriodibenzofuran-1-yl)naphthalen-1-yl]-6-(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazine (CID 171457215) is 2-dibenzofuran-1-yl-4-[4-(2,8-dideuteriodibenzofuran-1-yl)naphthalen-1-yl]-6-(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazine.

What is the SMILES notation for 2-dibenzofuran-1-yl-4-[4-(2,8-dideuteriodibenzofuran-1-yl)naphthalen-1-yl]-6-(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazine?

The canonical SMILES for 2-dibenzofuran-1-yl-4-[4-(2,8-dideuteriodibenzofuran-1-yl)naphthalen-1-yl]-6-(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazine is [2H]c1ccc2oc3ccc([2H])c(-c4ccc(-c5nc(-c6c([2H])c([2H])c([2H])c([2H])c6[2H])nc(-c6cccc7oc8ccccc8c67)n5)c5ccccc45)c3c2c1.

What is the InChIKey of 2-dibenzofuran-1-yl-4-[4-(2,8-dideuteriodibenzofuran-1-yl)naphthalen-1-yl]-6-(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazine?

The InChIKey is DZQYHHAGMAKGSF-ALNKVSCSSA-N. The full InChI is InChI=1S/C43H25N3O2/c1-2-12-26(13-3-1)41-44-42(46-43(45-41)34-19-11-23-38-40(34)33-17-7-9-21-36(33)48-38)31-25-24-29(27-14-4-5-15-28(27)31)30-18-10-22-37-39(30)32-16-6-8-20-35(32)47-37/h1-25H/i1D,2D,3D,6D,12D,13D,18D.

What are the key properties of 2-dibenzofuran-1-yl-4-[4-(2,8-dideuteriodibenzofuran-1-yl)naphthalen-1-yl]-6-(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazine?

2-dibenzofuran-1-yl-4-[4-(2,8-dideuteriodibenzofuran-1-yl)naphthalen-1-yl]-6-(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazine has a molecular weight of 622.73 g/mol, XLogP of 11.49, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-dibenzofuran-1-yl-4-[4-(2,8-dideuteriodibenzofuran-1-yl)naphthalen-1-yl]-6-(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazine is sourced from PubChem (CID 171457215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).