2-(2,3,4,5,6,7,8-heptadeuterionaphthalen-1-yl)-4-[3-(4-naphthalen-1-ylphenyl)phenyl]-6-(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazine

C41H27N3 — CID 171469883

About 2-(2,3,4,5,6,7,8-heptadeuterionaphthalen-1-yl)-4-[3-(4-naphthalen-1-ylphenyl)phenyl]-6-(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazine

2-(2,3,4,5,6,7,8-heptadeuterionaphthalen-1-yl)-4-[3-(4-naphthalen-1-ylphenyl)phenyl]-6-(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazine (PubChem CID 171469883) has the molecular formula C41H27N3 and a molecular weight of 573.76 g/mol. Its IUPAC name is 2-(2,3,4,5,6,7,8-heptadeuterionaphthalen-1-yl)-4-[3-(4-naphthalen-1-ylphenyl)phenyl]-6-(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazine.

Molecular Properties

• Compound Name: 2-(2,3,4,5,6,7,8-heptadeuterionaphthalen-1-yl)-4-[3-(4-naphthalen-1-ylphenyl)phenyl]-6-(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazine
• PubChem CID: 171469883
• Molecular Formula: C41H27N3
• Molecular Weight: 573.76 g/mol
• Exact Mass: 573.30
• IUPAC Name: 2-(2,3,4,5,6,7,8-heptadeuterionaphthalen-1-yl)-4-[3-(4-naphthalen-1-ylphenyl)phenyl]-6-(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazine
• SMILES: [2H]c1c([2H])c([2H])c(-c2nc(-c3cccc(-c4ccc(-c5cccc6ccccc56)cc4)c3)nc(-c3c([2H])c([2H])c([2H])c4c([2H])c([2H])c([2H])c([2H])c34)n2)c([2H])c1[2H]
• InChI: InChI=1S/C41H27N3/c1-2-13-32(14-3-1)39-42-40(44-41(43-39)38-22-10-16-30-12-5-7-20-37(30)38)34-18-8-17-33(27-34)28-23-25-31(26-24-28)36-21-9-15-29-11-4-6-19-35(29)36/h1-27H/i1D,2D,3D,5D,7D,10D,12D,13D,14D,16D,20D,22D
• InChIKey: SOZUVDJBZZETCU-HOUDEZQWSA-N
• XLogP: 10.51
• TPSA: 38.67 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 5
• Heavy Atoms: 44
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	573.76
LogP ≤ 5	10.51
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of 2-(2,3,4,5,6,7,8-heptadeuterionaphthalen-1-yl)-4-[3-(4-naphthalen-1-ylphenyl)phenyl]-6-(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazine?

The IUPAC name of 2-(2,3,4,5,6,7,8-heptadeuterionaphthalen-1-yl)-4-[3-(4-naphthalen-1-ylphenyl)phenyl]-6-(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazine (CID 171469883) is 2-(2,3,4,5,6,7,8-heptadeuterionaphthalen-1-yl)-4-[3-(4-naphthalen-1-ylphenyl)phenyl]-6-(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazine.

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

The canonical SMILES for 2-(2,3,4,5,6,7,8-heptadeuterionaphthalen-1-yl)-4-[3-(4-naphthalen-1-ylphenyl)phenyl]-6-(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazine is [2H]c1c([2H])c([2H])c(-c2nc(-c3cccc(-c4ccc(-c5cccc6ccccc56)cc4)c3)nc(-c3c([2H])c([2H])c([2H])c4c([2H])c([2H])c([2H])c([2H])c34)n2)c([2H])c1[2H].

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

The InChIKey is SOZUVDJBZZETCU-HOUDEZQWSA-N. The full InChI is InChI=1S/C41H27N3/c1-2-13-32(14-3-1)39-42-40(44-41(43-39)38-22-10-16-30-12-5-7-20-37(30)38)34-18-8-17-33(27-34)28-23-25-31(26-24-28)36-21-9-15-29-11-4-6-19-35(29)36/h1-27H/i1D,2D,3D,5D,7D,10D,12D,13D,14D,16D,20D,22D.

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

2-(2,3,4,5,6,7,8-heptadeuterionaphthalen-1-yl)-4-[3-(4-naphthalen-1-ylphenyl)phenyl]-6-(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazine has a molecular weight of 573.76 g/mol, XLogP of 10.51, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(2,3,4,5,6,7,8-heptadeuterionaphthalen-1-yl)-4-[3-(4-naphthalen-1-ylphenyl)phenyl]-6-(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazine is sourced from PubChem (CID 171469883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).