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

C44H35N3Si — CID 176645495

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

trimethyl-[4-[4-naphthalen-2-yl-6-[3-(3-naphthalen-1-ylphenyl)phenyl]-1,3,5-triazin-2-yl]phenyl]silane (PubChem CID 176645495) has the molecular formula C44H35N3Si and a molecular weight of 633.87 g/mol. Its IUPAC name is trimethyl-[4-[4-naphthalen-2-yl-6-[3-(3-naphthalen-1-ylphenyl)phenyl]-1,3,5-triazin-2-yl]phenyl]silane.

Molecular Properties

• Compound Name: trimethyl-[4-[4-naphthalen-2-yl-6-[3-(3-naphthalen-1-ylphenyl)phenyl]-1,3,5-triazin-2-yl]phenyl]silane
• PubChem CID: 176645495
• Molecular Formula: C44H35N3Si
• Molecular Weight: 633.87 g/mol
• Exact Mass: 633.26
• IUPAC Name: trimethyl-[4-[4-naphthalen-2-yl-6-[3-(3-naphthalen-1-ylphenyl)phenyl]-1,3,5-triazin-2-yl]phenyl]silane
• SMILES: C[Si](C)(C)c1ccc(-c2nc(-c3cccc(-c4cccc(-c5cccc6ccccc56)c4)c3)nc(-c3ccc4ccccc4c3)n2)cc1
• InChI: InChI=1S/C44H35N3Si/c1-48(2,3)39-25-23-32(24-26-39)42-45-43(47-44(46-42)38-22-21-30-11-4-5-13-33(30)28-38)37-18-9-16-35(29-37)34-15-8-17-36(27-34)41-20-10-14-31-12-6-7-19-40(31)41/h4-29H,1-3H3
• InChIKey: OIHGBOTYZCKHPE-UHFFFAOYSA-N
• XLogP: 11.06
• TPSA: 38.67 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 6
• Heavy Atoms: 48
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	633.87
LogP ≤ 5	11.06
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-naphthalen-2-yl-6-[3-(3-naphthalen-1-ylphenyl)phenyl]-1,3,5-triazin-2-yl]phenyl]silane?

The IUPAC name of trimethyl-[4-[4-naphthalen-2-yl-6-[3-(3-naphthalen-1-ylphenyl)phenyl]-1,3,5-triazin-2-yl]phenyl]silane (CID 176645495) is trimethyl-[4-[4-naphthalen-2-yl-6-[3-(3-naphthalen-1-ylphenyl)phenyl]-1,3,5-triazin-2-yl]phenyl]silane.

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

The canonical SMILES for trimethyl-[4-[4-naphthalen-2-yl-6-[3-(3-naphthalen-1-ylphenyl)phenyl]-1,3,5-triazin-2-yl]phenyl]silane is C[Si](C)(C)c1ccc(-c2nc(-c3cccc(-c4cccc(-c5cccc6ccccc56)c4)c3)nc(-c3ccc4ccccc4c3)n2)cc1.

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

The InChIKey is OIHGBOTYZCKHPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H35N3Si/c1-48(2,3)39-25-23-32(24-26-39)42-45-43(47-44(46-42)38-22-21-30-11-4-5-13-33(30)28-38)37-18-9-16-35(29-37)34-15-8-17-36(27-34)41-20-10-14-31-12-6-7-19-40(31)41/h4-29H,1-3H3.

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

trimethyl-[4-[4-naphthalen-2-yl-6-[3-(3-naphthalen-1-ylphenyl)phenyl]-1,3,5-triazin-2-yl]phenyl]silane has a molecular weight of 633.87 g/mol, XLogP of 11.06, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for trimethyl-[4-[4-naphthalen-2-yl-6-[3-(3-naphthalen-1-ylphenyl)phenyl]-1,3,5-triazin-2-yl]phenyl]silane is sourced from PubChem (CID 176645495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).