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

C60H47N3Si — CID 176645442

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

trimethyl-[4-[4-(4-phenylphenyl)-6-[3-[3-[3-[3-(3-phenylphenyl)phenyl]phenyl]phenyl]phenyl]-1,3,5-triazin-2-yl]phenyl]silane (PubChem CID 176645442) has the molecular formula C60H47N3Si and a molecular weight of 838.14 g/mol. Its IUPAC name is trimethyl-[4-[4-(4-phenylphenyl)-6-[3-[3-[3-[3-(3-phenylphenyl)phenyl]phenyl]phenyl]phenyl]-1,3,5-triazin-2-yl]phenyl]silane.

Molecular Properties

• Compound Name: trimethyl-[4-[4-(4-phenylphenyl)-6-[3-[3-[3-[3-(3-phenylphenyl)phenyl]phenyl]phenyl]phenyl]-1,3,5-triazin-2-yl]phenyl]silane
• PubChem CID: 176645442
• Molecular Formula: C60H47N3Si
• Molecular Weight: 838.14 g/mol
• Exact Mass: 837.35
• IUPAC Name: trimethyl-[4-[4-(4-phenylphenyl)-6-[3-[3-[3-[3-(3-phenylphenyl)phenyl]phenyl]phenyl]phenyl]-1,3,5-triazin-2-yl]phenyl]silane
• SMILES: C[Si](C)(C)c1ccc(-c2nc(-c3ccc(-c4ccccc4)cc3)nc(-c3cccc(-c4cccc(-c5cccc(-c6cccc(-c7cccc(-c8ccccc8)c7)c6)c5)c4)c3)n2)cc1
• InChI: InChI=1S/C60H47N3Si/c1-64(2,3)57-35-33-46(34-36-57)59-61-58(45-31-29-44(30-32-45)42-15-6-4-7-16-42)62-60(63-59)56-28-14-27-55(41-56)54-26-13-25-53(40-54)52-24-12-23-51(39-52)50-22-11-21-49(38-50)48-20-10-19-47(37-48)43-17-8-5-9-18-43/h4-41H,1-3H3
• InChIKey: YFRHSGLMFHRZOW-UHFFFAOYSA-N
• XLogP: 15.42
• TPSA: 38.67 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 10
• Heavy Atoms: 64
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	838.14
LogP ≤ 5	15.42
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 trimethyl-[4-[4-(4-phenylphenyl)-6-[3-[3-[3-[3-(3-phenylphenyl)phenyl]phenyl]phenyl]phenyl]-1,3,5-triazin-2-yl]phenyl]silane?

The IUPAC name of trimethyl-[4-[4-(4-phenylphenyl)-6-[3-[3-[3-[3-(3-phenylphenyl)phenyl]phenyl]phenyl]phenyl]-1,3,5-triazin-2-yl]phenyl]silane (CID 176645442) is trimethyl-[4-[4-(4-phenylphenyl)-6-[3-[3-[3-[3-(3-phenylphenyl)phenyl]phenyl]phenyl]phenyl]-1,3,5-triazin-2-yl]phenyl]silane.

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

The canonical SMILES for trimethyl-[4-[4-(4-phenylphenyl)-6-[3-[3-[3-[3-(3-phenylphenyl)phenyl]phenyl]phenyl]phenyl]-1,3,5-triazin-2-yl]phenyl]silane is C[Si](C)(C)c1ccc(-c2nc(-c3ccc(-c4ccccc4)cc3)nc(-c3cccc(-c4cccc(-c5cccc(-c6cccc(-c7cccc(-c8ccccc8)c7)c6)c5)c4)c3)n2)cc1.

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

The InChIKey is YFRHSGLMFHRZOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H47N3Si/c1-64(2,3)57-35-33-46(34-36-57)59-61-58(45-31-29-44(30-32-45)42-15-6-4-7-16-42)62-60(63-59)56-28-14-27-55(41-56)54-26-13-25-53(40-54)52-24-12-23-51(39-52)50-22-11-21-49(38-50)48-20-10-19-47(37-48)43-17-8-5-9-18-43/h4-41H,1-3H3.

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

trimethyl-[4-[4-(4-phenylphenyl)-6-[3-[3-[3-[3-(3-phenylphenyl)phenyl]phenyl]phenyl]phenyl]-1,3,5-triazin-2-yl]phenyl]silane has a molecular weight of 838.14 g/mol, XLogP of 15.42, 10 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for trimethyl-[4-[4-(4-phenylphenyl)-6-[3-[3-[3-[3-(3-phenylphenyl)phenyl]phenyl]phenyl]phenyl]-1,3,5-triazin-2-yl]phenyl]silane is sourced from PubChem (CID 176645442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).