2-[2-(5,5-dinaphthalen-2-ylbenzo[b][1]benzosilol-3-yl)phenyl]-4,6-diphenyl-1,3,5-triazine

C53H35N3Si — CID 155787397

About 2-[2-(5,5-dinaphthalen-2-ylbenzo[b][1]benzosilol-3-yl)phenyl]-4,6-diphenyl-1,3,5-triazine

2-[2-(5,5-dinaphthalen-2-ylbenzo[b][1]benzosilol-3-yl)phenyl]-4,6-diphenyl-1,3,5-triazine (PubChem CID 155787397) has the molecular formula C53H35N3Si and a molecular weight of 741.97 g/mol. Its IUPAC name is 2-[2-(5,5-dinaphthalen-2-ylbenzo[b][1]benzosilol-3-yl)phenyl]-4,6-diphenyl-1,3,5-triazine.

Molecular Properties

• Compound Name: 2-[2-(5,5-dinaphthalen-2-ylbenzo[b][1]benzosilol-3-yl)phenyl]-4,6-diphenyl-1,3,5-triazine
• PubChem CID: 155787397
• Molecular Formula: C53H35N3Si
• Molecular Weight: 741.97 g/mol
• Exact Mass: 741.26
• IUPAC Name: 2-[2-(5,5-dinaphthalen-2-ylbenzo[b][1]benzosilol-3-yl)phenyl]-4,6-diphenyl-1,3,5-triazine
• SMILES: c1ccc(-c2nc(-c3ccccc3)nc(-c3ccccc3-c3ccc4c(c3)[Si](c3ccc5ccccc5c3)(c3ccc5ccccc5c3)c3ccccc3-4)n2)cc1
• InChI: InChI=1S/C53H35N3Si/c1-3-17-38(18-4-1)51-54-52(39-19-5-2-6-20-39)56-53(55-51)48-25-12-11-23-45(48)42-29-32-47-46-24-13-14-26-49(46)57(50(47)35-42,43-30-27-36-15-7-9-21-40(36)33-43)44-31-28-37-16-8-10-22-41(37)34-44/h1-35H
• InChIKey: PUIBDCAWSNLPTC-UHFFFAOYSA-N
• XLogP: 10.20
• TPSA: 38.67 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 6
• Heavy Atoms: 57
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	741.97
LogP ≤ 5	10.20
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-[2-(5,5-dinaphthalen-2-ylbenzo[b][1]benzosilol-3-yl)phenyl]-4,6-diphenyl-1,3,5-triazine?

The IUPAC name of 2-[2-(5,5-dinaphthalen-2-ylbenzo[b][1]benzosilol-3-yl)phenyl]-4,6-diphenyl-1,3,5-triazine (CID 155787397) is 2-[2-(5,5-dinaphthalen-2-ylbenzo[b][1]benzosilol-3-yl)phenyl]-4,6-diphenyl-1,3,5-triazine.

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

The canonical SMILES for 2-[2-(5,5-dinaphthalen-2-ylbenzo[b][1]benzosilol-3-yl)phenyl]-4,6-diphenyl-1,3,5-triazine is c1ccc(-c2nc(-c3ccccc3)nc(-c3ccccc3-c3ccc4c(c3)[Si](c3ccc5ccccc5c3)(c3ccc5ccccc5c3)c3ccccc3-4)n2)cc1.

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

The InChIKey is PUIBDCAWSNLPTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C53H35N3Si/c1-3-17-38(18-4-1)51-54-52(39-19-5-2-6-20-39)56-53(55-51)48-25-12-11-23-45(48)42-29-32-47-46-24-13-14-26-49(46)57(50(47)35-42,43-30-27-36-15-7-9-21-40(36)33-43)44-31-28-37-16-8-10-22-41(37)34-44/h1-35H.

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

2-[2-(5,5-dinaphthalen-2-ylbenzo[b][1]benzosilol-3-yl)phenyl]-4,6-diphenyl-1,3,5-triazine has a molecular weight of 741.97 g/mol, XLogP of 10.20, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[2-(5,5-dinaphthalen-2-ylbenzo[b][1]benzosilol-3-yl)phenyl]-4,6-diphenyl-1,3,5-triazine is sourced from PubChem (CID 155787397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).