trimethyl-[4-[4-[4-[3-(3-naphthalen-1-ylphenyl)phenyl]-6-[4-(4-trimethylsilylphenyl)phenyl]-1,3,5-triazin-2-yl]phenyl]phenyl]silane

C55H49N3Si2 — CID 176645429

About trimethyl-[4-[4-[4-[3-(3-naphthalen-1-ylphenyl)phenyl]-6-[4-(4-trimethylsilylphenyl)phenyl]-1,3,5-triazin-2-yl]phenyl]phenyl]silane

trimethyl-[4-[4-[4-[3-(3-naphthalen-1-ylphenyl)phenyl]-6-[4-(4-trimethylsilylphenyl)phenyl]-1,3,5-triazin-2-yl]phenyl]phenyl]silane (PubChem CID 176645429) has the molecular formula C55H49N3Si2 and a molecular weight of 808.19 g/mol. Its IUPAC name is trimethyl-[4-[4-[4-[3-(3-naphthalen-1-ylphenyl)phenyl]-6-[4-(4-trimethylsilylphenyl)phenyl]-1,3,5-triazin-2-yl]phenyl]phenyl]silane.

Molecular Properties

• Compound Name: trimethyl-[4-[4-[4-[3-(3-naphthalen-1-ylphenyl)phenyl]-6-[4-(4-trimethylsilylphenyl)phenyl]-1,3,5-triazin-2-yl]phenyl]phenyl]silane
• PubChem CID: 176645429
• Molecular Formula: C55H49N3Si2
• Molecular Weight: 808.19 g/mol
• Exact Mass: 807.35
• IUPAC Name: trimethyl-[4-[4-[4-[3-(3-naphthalen-1-ylphenyl)phenyl]-6-[4-(4-trimethylsilylphenyl)phenyl]-1,3,5-triazin-2-yl]phenyl]phenyl]silane
• SMILES: C[Si](C)(C)c1ccc(-c2ccc(-c3nc(-c4ccc(-c5ccc([Si](C)(C)C)cc5)cc4)nc(-c4cccc(-c5cccc(-c6cccc7ccccc67)c5)c4)n3)cc2)cc1
• InChI: InChI=1S/C55H49N3Si2/c1-59(2,3)49-32-28-40(29-33-49)38-20-24-43(25-21-38)53-56-54(44-26-22-39(23-27-44)41-30-34-50(35-31-41)60(4,5)6)58-55(57-53)48-17-10-15-46(37-48)45-14-9-16-47(36-45)52-19-11-13-42-12-7-8-18-51(42)52/h7-37H,1-6H3
• InChIKey: CXUSHBZISMLLDV-UHFFFAOYSA-N
• XLogP: 13.78
• TPSA: 38.67 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 9
• Heavy Atoms: 60
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	808.19
LogP ≤ 5	13.78
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 trimethyl-[4-[4-[4-[3-(3-naphthalen-1-ylphenyl)phenyl]-6-[4-(4-trimethylsilylphenyl)phenyl]-1,3,5-triazin-2-yl]phenyl]phenyl]silane?

The IUPAC name of trimethyl-[4-[4-[4-[3-(3-naphthalen-1-ylphenyl)phenyl]-6-[4-(4-trimethylsilylphenyl)phenyl]-1,3,5-triazin-2-yl]phenyl]phenyl]silane (CID 176645429) is trimethyl-[4-[4-[4-[3-(3-naphthalen-1-ylphenyl)phenyl]-6-[4-(4-trimethylsilylphenyl)phenyl]-1,3,5-triazin-2-yl]phenyl]phenyl]silane.

What is the SMILES notation for trimethyl-[4-[4-[4-[3-(3-naphthalen-1-ylphenyl)phenyl]-6-[4-(4-trimethylsilylphenyl)phenyl]-1,3,5-triazin-2-yl]phenyl]phenyl]silane?

The canonical SMILES for trimethyl-[4-[4-[4-[3-(3-naphthalen-1-ylphenyl)phenyl]-6-[4-(4-trimethylsilylphenyl)phenyl]-1,3,5-triazin-2-yl]phenyl]phenyl]silane is C[Si](C)(C)c1ccc(-c2ccc(-c3nc(-c4ccc(-c5ccc([Si](C)(C)C)cc5)cc4)nc(-c4cccc(-c5cccc(-c6cccc7ccccc67)c5)c4)n3)cc2)cc1.

What is the InChIKey of trimethyl-[4-[4-[4-[3-(3-naphthalen-1-ylphenyl)phenyl]-6-[4-(4-trimethylsilylphenyl)phenyl]-1,3,5-triazin-2-yl]phenyl]phenyl]silane?

The InChIKey is CXUSHBZISMLLDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C55H49N3Si2/c1-59(2,3)49-32-28-40(29-33-49)38-20-24-43(25-21-38)53-56-54(44-26-22-39(23-27-44)41-30-34-50(35-31-41)60(4,5)6)58-55(57-53)48-17-10-15-46(37-48)45-14-9-16-47(36-45)52-19-11-13-42-12-7-8-18-51(42)52/h7-37H,1-6H3.

What are the key properties of trimethyl-[4-[4-[4-[3-(3-naphthalen-1-ylphenyl)phenyl]-6-[4-(4-trimethylsilylphenyl)phenyl]-1,3,5-triazin-2-yl]phenyl]phenyl]silane?

trimethyl-[4-[4-[4-[3-(3-naphthalen-1-ylphenyl)phenyl]-6-[4-(4-trimethylsilylphenyl)phenyl]-1,3,5-triazin-2-yl]phenyl]phenyl]silane has a molecular weight of 808.19 g/mol, XLogP of 13.78, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for trimethyl-[4-[4-[4-[3-(3-naphthalen-1-ylphenyl)phenyl]-6-[4-(4-trimethylsilylphenyl)phenyl]-1,3,5-triazin-2-yl]phenyl]phenyl]silane is sourced from PubChem (CID 176645429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).