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

C48H39N3Si — CID 176645210

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

trimethyl-[4-[3-[3-[4-(2-phenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]phenyl]silane (PubChem CID 176645210) has the molecular formula C48H39N3Si and a molecular weight of 685.95 g/mol. Its IUPAC name is trimethyl-[4-[3-[3-[4-(2-phenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]phenyl]silane.

Molecular Properties

• Compound Name: trimethyl-[4-[3-[3-[4-(2-phenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]phenyl]silane
• PubChem CID: 176645210
• Molecular Formula: C48H39N3Si
• Molecular Weight: 685.95 g/mol
• Exact Mass: 685.29
• IUPAC Name: trimethyl-[4-[3-[3-[4-(2-phenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]phenyl]silane
• SMILES: C[Si](C)(C)c1ccc(-c2cccc(-c3cccc(-c4nc(-c5ccc(-c6ccccc6)cc5)nc(-c5ccccc5-c5ccccc5)n4)c3)c2)cc1
• InChI: InChI=1S/C48H39N3Si/c1-52(2,3)43-30-28-36(29-31-43)39-18-12-19-40(32-39)41-20-13-21-42(33-41)47-49-46(38-26-24-35(25-27-38)34-14-6-4-7-15-34)50-48(51-47)45-23-11-10-22-44(45)37-16-8-5-9-17-37/h4-33H,1-3H3
• InChIKey: ITAXMUHTXBPHAF-UHFFFAOYSA-N
• XLogP: 12.09
• TPSA: 38.67 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 8
• Heavy Atoms: 52
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	685.95
LogP ≤ 5	12.09
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-[3-[3-[4-(2-phenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]phenyl]silane?

The IUPAC name of trimethyl-[4-[3-[3-[4-(2-phenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]phenyl]silane (CID 176645210) is trimethyl-[4-[3-[3-[4-(2-phenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]phenyl]silane.

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

The canonical SMILES for trimethyl-[4-[3-[3-[4-(2-phenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]phenyl]silane is C[Si](C)(C)c1ccc(-c2cccc(-c3cccc(-c4nc(-c5ccc(-c6ccccc6)cc5)nc(-c5ccccc5-c5ccccc5)n4)c3)c2)cc1.

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

The InChIKey is ITAXMUHTXBPHAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H39N3Si/c1-52(2,3)43-30-28-36(29-31-43)39-18-12-19-40(32-39)41-20-13-21-42(33-41)47-49-46(38-26-24-35(25-27-38)34-14-6-4-7-15-34)50-48(51-47)45-23-11-10-22-44(45)37-16-8-5-9-17-37/h4-33H,1-3H3.

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

trimethyl-[4-[3-[3-[4-(2-phenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]phenyl]silane has a molecular weight of 685.95 g/mol, XLogP of 12.09, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for trimethyl-[4-[3-[3-[4-(2-phenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]phenyl]silane is sourced from PubChem (CID 176645210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).