2-(7,7-dimethylnaphtho[2,1-b][1]benzosilol-9-yl)-4-(6-phenylnaphthalen-2-yl)-6-(4-phenylphenyl)-1,3,5-triazine

C49H35N3Si — CID 158354834

About 2-(7,7-dimethylnaphtho[2,1-b][1]benzosilol-9-yl)-4-(6-phenylnaphthalen-2-yl)-6-(4-phenylphenyl)-1,3,5-triazine

2-(7,7-dimethylnaphtho[2,1-b][1]benzosilol-9-yl)-4-(6-phenylnaphthalen-2-yl)-6-(4-phenylphenyl)-1,3,5-triazine (PubChem CID 158354834) has the molecular formula C49H35N3Si and a molecular weight of 693.93 g/mol. Its IUPAC name is 2-(7,7-dimethylnaphtho[2,1-b][1]benzosilol-9-yl)-4-(6-phenylnaphthalen-2-yl)-6-(4-phenylphenyl)-1,3,5-triazine.

Molecular Properties

• Compound Name: 2-(7,7-dimethylnaphtho[2,1-b][1]benzosilol-9-yl)-4-(6-phenylnaphthalen-2-yl)-6-(4-phenylphenyl)-1,3,5-triazine
• PubChem CID: 158354834
• Molecular Formula: C49H35N3Si
• Molecular Weight: 693.93 g/mol
• Exact Mass: 693.26
• IUPAC Name: 2-(7,7-dimethylnaphtho[2,1-b][1]benzosilol-9-yl)-4-(6-phenylnaphthalen-2-yl)-6-(4-phenylphenyl)-1,3,5-triazine
• SMILES: C[Si]1(C)c2cc(-c3nc(-c4ccc(-c5ccccc5)cc4)nc(-c4ccc5cc(-c6ccccc6)ccc5c4)n3)ccc2-c2c1ccc1ccccc21
• InChI: InChI=1S/C49H35N3Si/c1-53(2)44-28-26-35-15-9-10-16-42(35)46(44)43-27-25-41(31-45(43)53)49-51-47(36-19-17-34(18-20-36)32-11-5-3-6-12-32)50-48(52-49)40-24-23-38-29-37(21-22-39(38)30-40)33-13-7-4-8-14-33/h3-31H,1-2H3
• InChIKey: GBQAMEKXNUAWEG-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-(7,7-dimethylnaphtho[2,1-b][1]benzosilol-9-yl)-4-(6-phenylnaphthalen-2-yl)-6-(4-phenylphenyl)-1,3,5-triazine?

The IUPAC name of 2-(7,7-dimethylnaphtho[2,1-b][1]benzosilol-9-yl)-4-(6-phenylnaphthalen-2-yl)-6-(4-phenylphenyl)-1,3,5-triazine (CID 158354834) is 2-(7,7-dimethylnaphtho[2,1-b][1]benzosilol-9-yl)-4-(6-phenylnaphthalen-2-yl)-6-(4-phenylphenyl)-1,3,5-triazine.

What is the SMILES notation for 2-(7,7-dimethylnaphtho[2,1-b][1]benzosilol-9-yl)-4-(6-phenylnaphthalen-2-yl)-6-(4-phenylphenyl)-1,3,5-triazine?

The canonical SMILES for 2-(7,7-dimethylnaphtho[2,1-b][1]benzosilol-9-yl)-4-(6-phenylnaphthalen-2-yl)-6-(4-phenylphenyl)-1,3,5-triazine is C[Si]1(C)c2cc(-c3nc(-c4ccc(-c5ccccc5)cc4)nc(-c4ccc5cc(-c6ccccc6)ccc5c4)n3)ccc2-c2c1ccc1ccccc21.

What is the InChIKey of 2-(7,7-dimethylnaphtho[2,1-b][1]benzosilol-9-yl)-4-(6-phenylnaphthalen-2-yl)-6-(4-phenylphenyl)-1,3,5-triazine?

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

What are the key properties of 2-(7,7-dimethylnaphtho[2,1-b][1]benzosilol-9-yl)-4-(6-phenylnaphthalen-2-yl)-6-(4-phenylphenyl)-1,3,5-triazine?

2-(7,7-dimethylnaphtho[2,1-b][1]benzosilol-9-yl)-4-(6-phenylnaphthalen-2-yl)-6-(4-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-(7,7-dimethylnaphtho[2,1-b][1]benzosilol-9-yl)-4-(6-phenylnaphthalen-2-yl)-6-(4-phenylphenyl)-1,3,5-triazine is sourced from PubChem (CID 158354834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).