2-phenyl-6-[7-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]naphthalen-1-yl]benzeneselenol

C43H29N3Se — CID 167666213

About 2-phenyl-6-[7-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]naphthalen-1-yl]benzeneselenol

2-phenyl-6-[7-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]naphthalen-1-yl]benzeneselenol (PubChem CID 167666213) has the molecular formula C43H29N3Se and a molecular weight of 666.69 g/mol. Its IUPAC name is 2-phenyl-6-[7-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]naphthalen-1-yl]benzeneselenol.

Molecular Properties

• Compound Name: 2-phenyl-6-[7-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]naphthalen-1-yl]benzeneselenol
• PubChem CID: 167666213
• Molecular Formula: C43H29N3Se
• Molecular Weight: 666.69 g/mol
• Exact Mass: 667.15
• IUPAC Name: 2-phenyl-6-[7-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]naphthalen-1-yl]benzeneselenol
• SMILES: [SeH]c1c(-c2ccccc2)cccc1-c1cccc2ccc(-c3nc(-c4ccccc4)nc(-c4ccc(-c5ccccc5)cc4)n3)cc12
• InChI: InChI=1S/C43H29N3Se/c47-40-36(31-14-6-2-7-15-31)19-11-21-38(40)37-20-10-18-32-24-27-35(28-39(32)37)43-45-41(33-16-8-3-9-17-33)44-42(46-43)34-25-22-30(23-26-34)29-12-4-1-5-13-29/h1-28,47H
• InChIKey: RIUVFKCLYVYDQB-UHFFFAOYSA-N
• XLogP: 9.55
• TPSA: 38.67 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 6
• Heavy Atoms: 47
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	666.69
LogP ≤ 5	9.55
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-phenyl-6-[7-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]naphthalen-1-yl]benzeneselenol?

The IUPAC name of 2-phenyl-6-[7-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]naphthalen-1-yl]benzeneselenol (CID 167666213) is 2-phenyl-6-[7-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]naphthalen-1-yl]benzeneselenol.

What is the SMILES notation for 2-phenyl-6-[7-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]naphthalen-1-yl]benzeneselenol?

The canonical SMILES for 2-phenyl-6-[7-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]naphthalen-1-yl]benzeneselenol is [SeH]c1c(-c2ccccc2)cccc1-c1cccc2ccc(-c3nc(-c4ccccc4)nc(-c4ccc(-c5ccccc5)cc4)n3)cc12.

What is the InChIKey of 2-phenyl-6-[7-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]naphthalen-1-yl]benzeneselenol?

The InChIKey is RIUVFKCLYVYDQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H29N3Se/c47-40-36(31-14-6-2-7-15-31)19-11-21-38(40)37-20-10-18-32-24-27-35(28-39(32)37)43-45-41(33-16-8-3-9-17-33)44-42(46-43)34-25-22-30(23-26-34)29-12-4-1-5-13-29/h1-28,47H.

What are the key properties of 2-phenyl-6-[7-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]naphthalen-1-yl]benzeneselenol?

2-phenyl-6-[7-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]naphthalen-1-yl]benzeneselenol has a molecular weight of 666.69 g/mol, XLogP of 9.55, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 2-phenyl-6-[7-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]naphthalen-1-yl]benzeneselenol is sourced from PubChem (CID 167666213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).