2-(5,5-diphenylbenzo[b][1]benzosilol-3-yl)-4-phenyl-6-(2-phenylphenyl)-1,3,5-triazine

C45H31N3Si — CID 155787215

About 2-(5,5-diphenylbenzo[b][1]benzosilol-3-yl)-4-phenyl-6-(2-phenylphenyl)-1,3,5-triazine

2-(5,5-diphenylbenzo[b][1]benzosilol-3-yl)-4-phenyl-6-(2-phenylphenyl)-1,3,5-triazine (PubChem CID 155787215) has the molecular formula C45H31N3Si and a molecular weight of 641.85 g/mol. Its IUPAC name is 2-(5,5-diphenylbenzo[b][1]benzosilol-3-yl)-4-phenyl-6-(2-phenylphenyl)-1,3,5-triazine.

Molecular Properties

• Compound Name: 2-(5,5-diphenylbenzo[b][1]benzosilol-3-yl)-4-phenyl-6-(2-phenylphenyl)-1,3,5-triazine
• PubChem CID: 155787215
• Molecular Formula: C45H31N3Si
• Molecular Weight: 641.85 g/mol
• Exact Mass: 641.23
• IUPAC Name: 2-(5,5-diphenylbenzo[b][1]benzosilol-3-yl)-4-phenyl-6-(2-phenylphenyl)-1,3,5-triazine
• SMILES: c1ccc(-c2nc(-c3ccc4c(c3)[Si](c3ccccc3)(c3ccccc3)c3ccccc3-4)nc(-c3ccccc3-c3ccccc3)n2)cc1
• InChI: InChI=1S/C45H31N3Si/c1-5-17-32(18-6-1)37-25-13-14-27-40(37)45-47-43(33-19-7-2-8-20-33)46-44(48-45)34-29-30-39-38-26-15-16-28-41(38)49(42(39)31-34,35-21-9-3-10-22-35)36-23-11-4-12-24-36/h1-31H
• InChIKey: HPHMZQASTQQZEO-UHFFFAOYSA-N
• XLogP: 7.90
• TPSA: 38.67 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 6
• Heavy Atoms: 49
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	641.85
LogP ≤ 5	7.90
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-(5,5-diphenylbenzo[b][1]benzosilol-3-yl)-4-phenyl-6-(2-phenylphenyl)-1,3,5-triazine?

The IUPAC name of 2-(5,5-diphenylbenzo[b][1]benzosilol-3-yl)-4-phenyl-6-(2-phenylphenyl)-1,3,5-triazine (CID 155787215) is 2-(5,5-diphenylbenzo[b][1]benzosilol-3-yl)-4-phenyl-6-(2-phenylphenyl)-1,3,5-triazine.

What is the SMILES notation for 2-(5,5-diphenylbenzo[b][1]benzosilol-3-yl)-4-phenyl-6-(2-phenylphenyl)-1,3,5-triazine?

The canonical SMILES for 2-(5,5-diphenylbenzo[b][1]benzosilol-3-yl)-4-phenyl-6-(2-phenylphenyl)-1,3,5-triazine is c1ccc(-c2nc(-c3ccc4c(c3)[Si](c3ccccc3)(c3ccccc3)c3ccccc3-4)nc(-c3ccccc3-c3ccccc3)n2)cc1.

What is the InChIKey of 2-(5,5-diphenylbenzo[b][1]benzosilol-3-yl)-4-phenyl-6-(2-phenylphenyl)-1,3,5-triazine?

The InChIKey is HPHMZQASTQQZEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H31N3Si/c1-5-17-32(18-6-1)37-25-13-14-27-40(37)45-47-43(33-19-7-2-8-20-33)46-44(48-45)34-29-30-39-38-26-15-16-28-41(38)49(42(39)31-34,35-21-9-3-10-22-35)36-23-11-4-12-24-36/h1-31H.

What are the key properties of 2-(5,5-diphenylbenzo[b][1]benzosilol-3-yl)-4-phenyl-6-(2-phenylphenyl)-1,3,5-triazine?

2-(5,5-diphenylbenzo[b][1]benzosilol-3-yl)-4-phenyl-6-(2-phenylphenyl)-1,3,5-triazine has a molecular weight of 641.85 g/mol, XLogP of 7.90, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(5,5-diphenylbenzo[b][1]benzosilol-3-yl)-4-phenyl-6-(2-phenylphenyl)-1,3,5-triazine is sourced from PubChem (CID 155787215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).