2-(5-naphthalen-1-yl-5-phenylbenzo[b][1]benzosilol-3-yl)-4,6-diphenyl-1,3,5-triazine

C43H29N3Si — CID 155787286

About 2-(5-naphthalen-1-yl-5-phenylbenzo[b][1]benzosilol-3-yl)-4,6-diphenyl-1,3,5-triazine

2-(5-naphthalen-1-yl-5-phenylbenzo[b][1]benzosilol-3-yl)-4,6-diphenyl-1,3,5-triazine (PubChem CID 155787286) has the molecular formula C43H29N3Si and a molecular weight of 615.81 g/mol. Its IUPAC name is 2-(5-naphthalen-1-yl-5-phenylbenzo[b][1]benzosilol-3-yl)-4,6-diphenyl-1,3,5-triazine.

Molecular Properties

• Compound Name: 2-(5-naphthalen-1-yl-5-phenylbenzo[b][1]benzosilol-3-yl)-4,6-diphenyl-1,3,5-triazine
• PubChem CID: 155787286
• Molecular Formula: C43H29N3Si
• Molecular Weight: 615.81 g/mol
• Exact Mass: 615.21
• IUPAC Name: 2-(5-naphthalen-1-yl-5-phenylbenzo[b][1]benzosilol-3-yl)-4,6-diphenyl-1,3,5-triazine
• SMILES: c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc4c(c3)[Si](c3ccccc3)(c3cccc5ccccc35)c3ccccc3-4)n2)cc1
• InChI: InChI=1S/C43H29N3Si/c1-4-16-31(17-5-1)41-44-42(32-18-6-2-7-19-32)46-43(45-41)33-27-28-37-36-24-12-13-25-39(36)47(40(37)29-33,34-21-8-3-9-22-34)38-26-14-20-30-15-10-11-23-35(30)38/h1-29H
• InChIKey: OIGALOAAIFUVEL-UHFFFAOYSA-N
• XLogP: 7.38
• TPSA: 38.67 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 5
• Heavy Atoms: 47
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	615.81
LogP ≤ 5	7.38
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-naphthalen-1-yl-5-phenylbenzo[b][1]benzosilol-3-yl)-4,6-diphenyl-1,3,5-triazine?

The IUPAC name of 2-(5-naphthalen-1-yl-5-phenylbenzo[b][1]benzosilol-3-yl)-4,6-diphenyl-1,3,5-triazine (CID 155787286) is 2-(5-naphthalen-1-yl-5-phenylbenzo[b][1]benzosilol-3-yl)-4,6-diphenyl-1,3,5-triazine.

What is the SMILES notation for 2-(5-naphthalen-1-yl-5-phenylbenzo[b][1]benzosilol-3-yl)-4,6-diphenyl-1,3,5-triazine?

The canonical SMILES for 2-(5-naphthalen-1-yl-5-phenylbenzo[b][1]benzosilol-3-yl)-4,6-diphenyl-1,3,5-triazine is c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc4c(c3)[Si](c3ccccc3)(c3cccc5ccccc35)c3ccccc3-4)n2)cc1.

What is the InChIKey of 2-(5-naphthalen-1-yl-5-phenylbenzo[b][1]benzosilol-3-yl)-4,6-diphenyl-1,3,5-triazine?

The InChIKey is OIGALOAAIFUVEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H29N3Si/c1-4-16-31(17-5-1)41-44-42(32-18-6-2-7-19-32)46-43(45-41)33-27-28-37-36-24-12-13-25-39(36)47(40(37)29-33,34-21-8-3-9-22-34)38-26-14-20-30-15-10-11-23-35(30)38/h1-29H.

What are the key properties of 2-(5-naphthalen-1-yl-5-phenylbenzo[b][1]benzosilol-3-yl)-4,6-diphenyl-1,3,5-triazine?

2-(5-naphthalen-1-yl-5-phenylbenzo[b][1]benzosilol-3-yl)-4,6-diphenyl-1,3,5-triazine has a molecular weight of 615.81 g/mol, XLogP of 7.38, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(5-naphthalen-1-yl-5-phenylbenzo[b][1]benzosilol-3-yl)-4,6-diphenyl-1,3,5-triazine is sourced from PubChem (CID 155787286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).