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

C49H35N3Si — CID 157359934

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

2-(5,5-dimethylnaphtho[2,3-b][1]benzosilol-2-yl)-4-(6-phenylnaphthalen-2-yl)-6-(2-phenylphenyl)-1,3,5-triazine (PubChem CID 157359934) has the molecular formula C49H35N3Si and a molecular weight of 693.93 g/mol. Its IUPAC name is 2-(5,5-dimethylnaphtho[2,3-b][1]benzosilol-2-yl)-4-(6-phenylnaphthalen-2-yl)-6-(2-phenylphenyl)-1,3,5-triazine.

Molecular Properties

• Compound Name: 2-(5,5-dimethylnaphtho[2,3-b][1]benzosilol-2-yl)-4-(6-phenylnaphthalen-2-yl)-6-(2-phenylphenyl)-1,3,5-triazine
• PubChem CID: 157359934
• Molecular Formula: C49H35N3Si
• Molecular Weight: 693.93 g/mol
• Exact Mass: 693.26
• IUPAC Name: 2-(5,5-dimethylnaphtho[2,3-b][1]benzosilol-2-yl)-4-(6-phenylnaphthalen-2-yl)-6-(2-phenylphenyl)-1,3,5-triazine
• SMILES: C[Si]1(C)c2ccc(-c3nc(-c4ccc5cc(-c6ccccc6)ccc5c4)nc(-c4ccccc4-c4ccccc4)n3)cc2-c2cc3ccccc3cc21
• InChI: InChI=1S/C49H35N3Si/c1-53(2)45-26-25-40(30-43(45)44-29-34-17-9-10-18-35(34)31-46(44)53)48-50-47(51-49(52-48)42-20-12-11-19-41(42)33-15-7-4-8-16-33)39-24-23-37-27-36(21-22-38(37)28-39)32-13-5-3-6-14-32/h3-31H,1-2H3
• InChIKey: NJWUBNHTTMWISI-UHFFFAOYSA-N
• XLogP: 11.32
• TPSA: 38.67 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 5
• Heavy Atoms: 53
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	693.93
LogP ≤ 5	11.32
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-dimethylnaphtho[2,3-b][1]benzosilol-2-yl)-4-(6-phenylnaphthalen-2-yl)-6-(2-phenylphenyl)-1,3,5-triazine?

The IUPAC name of 2-(5,5-dimethylnaphtho[2,3-b][1]benzosilol-2-yl)-4-(6-phenylnaphthalen-2-yl)-6-(2-phenylphenyl)-1,3,5-triazine (CID 157359934) is 2-(5,5-dimethylnaphtho[2,3-b][1]benzosilol-2-yl)-4-(6-phenylnaphthalen-2-yl)-6-(2-phenylphenyl)-1,3,5-triazine.

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

The canonical SMILES for 2-(5,5-dimethylnaphtho[2,3-b][1]benzosilol-2-yl)-4-(6-phenylnaphthalen-2-yl)-6-(2-phenylphenyl)-1,3,5-triazine is C[Si]1(C)c2ccc(-c3nc(-c4ccc5cc(-c6ccccc6)ccc5c4)nc(-c4ccccc4-c4ccccc4)n3)cc2-c2cc3ccccc3cc21.

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

The InChIKey is NJWUBNHTTMWISI-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H35N3Si/c1-53(2)45-26-25-40(30-43(45)44-29-34-17-9-10-18-35(34)31-46(44)53)48-50-47(51-49(52-48)42-20-12-11-19-41(42)33-15-7-4-8-16-33)39-24-23-37-27-36(21-22-38(37)28-39)32-13-5-3-6-14-32/h3-31H,1-2H3.

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

2-(5,5-dimethylnaphtho[2,3-b][1]benzosilol-2-yl)-4-(6-phenylnaphthalen-2-yl)-6-(2-phenylphenyl)-1,3,5-triazine has a molecular weight of 693.93 g/mol, XLogP of 11.32, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(5,5-dimethylnaphtho[2,3-b][1]benzosilol-2-yl)-4-(6-phenylnaphthalen-2-yl)-6-(2-phenylphenyl)-1,3,5-triazine is sourced from PubChem (CID 157359934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).