[4-[3-[3-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]phenyl]phenyl]-trimethylsilane

C42H35N3Si — CID 176645669

About [4-[3-[3-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]phenyl]phenyl]-trimethylsilane

[4-[3-[3-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]phenyl]phenyl]-trimethylsilane (PubChem CID 176645669) has the molecular formula C42H35N3Si and a molecular weight of 609.85 g/mol. Its IUPAC name is [4-[3-[3-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]phenyl]phenyl]-trimethylsilane.

Molecular Properties

• Compound Name: [4-[3-[3-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]phenyl]phenyl]-trimethylsilane
• PubChem CID: 176645669
• Molecular Formula: C42H35N3Si
• Molecular Weight: 609.85 g/mol
• Exact Mass: 609.26
• IUPAC Name: [4-[3-[3-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]phenyl]phenyl]-trimethylsilane
• SMILES: C[Si](C)(C)c1ccc(-c2cccc(-c3cccc(-c4ccc(-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)cc4)c3)c2)cc1
• InChI: InChI=1S/C42H35N3Si/c1-46(2,3)39-26-24-31(25-27-39)36-17-11-19-38(29-36)37-18-10-16-35(28-37)30-20-22-34(23-21-30)42-44-40(32-12-6-4-7-13-32)43-41(45-42)33-14-8-5-9-15-33/h4-29H,1-3H3
• InChIKey: QFKNVFOGZJUFJT-UHFFFAOYSA-N
• XLogP: 10.42
• TPSA: 38.67 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 7
• Heavy Atoms: 46
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	609.85
LogP ≤ 5	10.42
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 [4-[3-[3-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]phenyl]phenyl]-trimethylsilane?

The IUPAC name of [4-[3-[3-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]phenyl]phenyl]-trimethylsilane (CID 176645669) is [4-[3-[3-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]phenyl]phenyl]-trimethylsilane.

What is the SMILES notation for [4-[3-[3-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]phenyl]phenyl]-trimethylsilane?

The canonical SMILES for [4-[3-[3-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]phenyl]phenyl]-trimethylsilane is C[Si](C)(C)c1ccc(-c2cccc(-c3cccc(-c4ccc(-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)cc4)c3)c2)cc1.

What is the InChIKey of [4-[3-[3-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]phenyl]phenyl]-trimethylsilane?

The InChIKey is QFKNVFOGZJUFJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H35N3Si/c1-46(2,3)39-26-24-31(25-27-39)36-17-11-19-38(29-36)37-18-10-16-35(28-37)30-20-22-34(23-21-30)42-44-40(32-12-6-4-7-13-32)43-41(45-42)33-14-8-5-9-15-33/h4-29H,1-3H3.

What are the key properties of [4-[3-[3-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]phenyl]phenyl]-trimethylsilane?

[4-[3-[3-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]phenyl]phenyl]-trimethylsilane has a molecular weight of 609.85 g/mol, XLogP of 10.42, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for [4-[3-[3-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]phenyl]phenyl]-trimethylsilane is sourced from PubChem (CID 176645669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).