2-dibenzofuran-1-yl-4-[2,4,6,7,8,9-hexadeuterio-3-(1,3,4,5,6,7,8-heptadeuterionaphthalen-2-yl)dibenzofuran-1-yl]-6-(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazine

C43H25N3O2 — CID 176765250

About 2-dibenzofuran-1-yl-4-[2,4,6,7,8,9-hexadeuterio-3-(1,3,4,5,6,7,8-heptadeuterionaphthalen-2-yl)dibenzofuran-1-yl]-6-(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazine

2-dibenzofuran-1-yl-4-[2,4,6,7,8,9-hexadeuterio-3-(1,3,4,5,6,7,8-heptadeuterionaphthalen-2-yl)dibenzofuran-1-yl]-6-(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazine (PubChem CID 176765250) has the molecular formula C43H25N3O2 and a molecular weight of 633.80 g/mol. Its IUPAC name is 2-dibenzofuran-1-yl-4-[2,4,6,7,8,9-hexadeuterio-3-(1,3,4,5,6,7,8-heptadeuterionaphthalen-2-yl)dibenzofuran-1-yl]-6-(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazine.

Molecular Properties

• Compound Name: 2-dibenzofuran-1-yl-4-[2,4,6,7,8,9-hexadeuterio-3-(1,3,4,5,6,7,8-heptadeuterionaphthalen-2-yl)dibenzofuran-1-yl]-6-(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazine
• PubChem CID: 176765250
• Molecular Formula: C43H25N3O2
• Molecular Weight: 633.80 g/mol
• Exact Mass: 633.31
• IUPAC Name: 2-dibenzofuran-1-yl-4-[2,4,6,7,8,9-hexadeuterio-3-(1,3,4,5,6,7,8-heptadeuterionaphthalen-2-yl)dibenzofuran-1-yl]-6-(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazine
• SMILES: [2H]c1c([2H])c([2H])c(-c2nc(-c3cccc4oc5ccccc5c34)nc(-c3c([2H])c(-c4c([2H])c([2H])c5c([2H])c([2H])c([2H])c([2H])c5c4[2H])c([2H])c4oc5c([2H])c([2H])c([2H])c([2H])c5c34)n2)c([2H])c1[2H]
• InChI: InChI=1S/C43H25N3O2/c1-2-12-27(13-3-1)41-44-42(33-17-10-20-37-39(33)31-15-6-8-18-35(31)47-37)46-43(45-41)34-24-30(29-22-21-26-11-4-5-14-28(26)23-29)25-38-40(34)32-16-7-9-19-36(32)48-38/h1-25H/i1D,2D,3D,4D,5D,7D,9D,11D,12D,13D,14D,16D,19D,21D,22D,23D,24D,25D
• InChIKey: JLFDICQHTTVKIM-CRRZMESVSA-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	633.80
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-[2,4,6,7,8,9-hexadeuterio-3-(1,3,4,5,6,7,8-heptadeuterionaphthalen-2-yl)dibenzofuran-1-yl]-6-(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazine?

The IUPAC name of 2-dibenzofuran-1-yl-4-[2,4,6,7,8,9-hexadeuterio-3-(1,3,4,5,6,7,8-heptadeuterionaphthalen-2-yl)dibenzofuran-1-yl]-6-(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazine (CID 176765250) is 2-dibenzofuran-1-yl-4-[2,4,6,7,8,9-hexadeuterio-3-(1,3,4,5,6,7,8-heptadeuterionaphthalen-2-yl)dibenzofuran-1-yl]-6-(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazine.

What is the SMILES notation for 2-dibenzofuran-1-yl-4-[2,4,6,7,8,9-hexadeuterio-3-(1,3,4,5,6,7,8-heptadeuterionaphthalen-2-yl)dibenzofuran-1-yl]-6-(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazine?

The canonical SMILES for 2-dibenzofuran-1-yl-4-[2,4,6,7,8,9-hexadeuterio-3-(1,3,4,5,6,7,8-heptadeuterionaphthalen-2-yl)dibenzofuran-1-yl]-6-(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazine is [2H]c1c([2H])c([2H])c(-c2nc(-c3cccc4oc5ccccc5c34)nc(-c3c([2H])c(-c4c([2H])c([2H])c5c([2H])c([2H])c([2H])c([2H])c5c4[2H])c([2H])c4oc5c([2H])c([2H])c([2H])c([2H])c5c34)n2)c([2H])c1[2H].

What is the InChIKey of 2-dibenzofuran-1-yl-4-[2,4,6,7,8,9-hexadeuterio-3-(1,3,4,5,6,7,8-heptadeuterionaphthalen-2-yl)dibenzofuran-1-yl]-6-(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazine?

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

What are the key properties of 2-dibenzofuran-1-yl-4-[2,4,6,7,8,9-hexadeuterio-3-(1,3,4,5,6,7,8-heptadeuterionaphthalen-2-yl)dibenzofuran-1-yl]-6-(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazine?

2-dibenzofuran-1-yl-4-[2,4,6,7,8,9-hexadeuterio-3-(1,3,4,5,6,7,8-heptadeuterionaphthalen-2-yl)dibenzofuran-1-yl]-6-(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazine has a molecular weight of 633.80 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-[2,4,6,7,8,9-hexadeuterio-3-(1,3,4,5,6,7,8-heptadeuterionaphthalen-2-yl)dibenzofuran-1-yl]-6-(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazine is sourced from PubChem (CID 176765250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).