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

C51H35N3Si — CID 155787067

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

2-(5,5-diphenylbenzo[b][1]benzosilol-2-yl)-4-(3,5-diphenylphenyl)-6-phenyl-1,3,5-triazine (PubChem CID 155787067) has the molecular formula C51H35N3Si and a molecular weight of 717.95 g/mol. Its IUPAC name is 2-(5,5-diphenylbenzo[b][1]benzosilol-2-yl)-4-(3,5-diphenylphenyl)-6-phenyl-1,3,5-triazine.

Molecular Properties

• Compound Name: 2-(5,5-diphenylbenzo[b][1]benzosilol-2-yl)-4-(3,5-diphenylphenyl)-6-phenyl-1,3,5-triazine
• PubChem CID: 155787067
• Molecular Formula: C51H35N3Si
• Molecular Weight: 717.95 g/mol
• Exact Mass: 717.26
• IUPAC Name: 2-(5,5-diphenylbenzo[b][1]benzosilol-2-yl)-4-(3,5-diphenylphenyl)-6-phenyl-1,3,5-triazine
• SMILES: c1ccc(-c2cc(-c3ccccc3)cc(-c3nc(-c4ccccc4)nc(-c4ccc5c(c4)-c4ccccc4[Si]5(c4ccccc4)c4ccccc4)n3)c2)cc1
• InChI: InChI=1S/C51H35N3Si/c1-6-18-36(19-7-1)40-32-41(37-20-8-2-9-21-37)34-42(33-40)51-53-49(38-22-10-3-11-23-38)52-50(54-51)39-30-31-48-46(35-39)45-28-16-17-29-47(45)55(48,43-24-12-4-13-25-43)44-26-14-5-15-27-44/h1-35H
• InChIKey: LEIHREDLJITDQY-UHFFFAOYSA-N
• XLogP: 9.56
• TPSA: 38.67 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 7
• Heavy Atoms: 55
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	717.95
LogP ≤ 5	9.56
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-2-yl)-4-(3,5-diphenylphenyl)-6-phenyl-1,3,5-triazine?

The IUPAC name of 2-(5,5-diphenylbenzo[b][1]benzosilol-2-yl)-4-(3,5-diphenylphenyl)-6-phenyl-1,3,5-triazine (CID 155787067) is 2-(5,5-diphenylbenzo[b][1]benzosilol-2-yl)-4-(3,5-diphenylphenyl)-6-phenyl-1,3,5-triazine.

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

The canonical SMILES for 2-(5,5-diphenylbenzo[b][1]benzosilol-2-yl)-4-(3,5-diphenylphenyl)-6-phenyl-1,3,5-triazine is c1ccc(-c2cc(-c3ccccc3)cc(-c3nc(-c4ccccc4)nc(-c4ccc5c(c4)-c4ccccc4[Si]5(c4ccccc4)c4ccccc4)n3)c2)cc1.

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

The InChIKey is LEIHREDLJITDQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H35N3Si/c1-6-18-36(19-7-1)40-32-41(37-20-8-2-9-21-37)34-42(33-40)51-53-49(38-22-10-3-11-23-38)52-50(54-51)39-30-31-48-46(35-39)45-28-16-17-29-47(45)55(48,43-24-12-4-13-25-43)44-26-14-5-15-27-44/h1-35H.

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

2-(5,5-diphenylbenzo[b][1]benzosilol-2-yl)-4-(3,5-diphenylphenyl)-6-phenyl-1,3,5-triazine has a molecular weight of 717.95 g/mol, XLogP of 9.56, 7 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-2-yl)-4-(3,5-diphenylphenyl)-6-phenyl-1,3,5-triazine is sourced from PubChem (CID 155787067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).