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

C54H43N3Si — CID 176645314

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

[3-[3-[4,6-bis[3-(3-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]phenyl]phenyl]-trimethylsilane (PubChem CID 176645314) has the molecular formula C54H43N3Si and a molecular weight of 762.05 g/mol. Its IUPAC name is [3-[3-[4,6-bis[3-(3-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]phenyl]phenyl]-trimethylsilane.

Molecular Properties

• Compound Name: [3-[3-[4,6-bis[3-(3-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]phenyl]phenyl]-trimethylsilane
• PubChem CID: 176645314
• Molecular Formula: C54H43N3Si
• Molecular Weight: 762.05 g/mol
• Exact Mass: 761.32
• IUPAC Name: [3-[3-[4,6-bis[3-(3-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]phenyl]phenyl]-trimethylsilane
• SMILES: C[Si](C)(C)c1cccc(-c2cccc(-c3nc(-c4cccc(-c5cccc(-c6ccccc6)c5)c4)nc(-c4cccc(-c5cccc(-c6ccccc6)c5)c4)n3)c2)c1
• InChI: InChI=1S/C54H43N3Si/c1-58(2,3)51-31-15-27-47(37-51)46-26-14-30-50(36-46)54-56-52(48-28-12-24-44(34-48)42-22-10-20-40(32-42)38-16-6-4-7-17-38)55-53(57-54)49-29-13-25-45(35-49)43-23-11-21-41(33-43)39-18-8-5-9-19-39/h4-37H,1-3H3
• InChIKey: XHQIFTAQKQWBOQ-UHFFFAOYSA-N
• XLogP: 13.75
• TPSA: 38.67 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 9
• Heavy Atoms: 58
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	762.05
LogP ≤ 5	13.75
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 [3-[3-[4,6-bis[3-(3-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]phenyl]phenyl]-trimethylsilane?

The IUPAC name of [3-[3-[4,6-bis[3-(3-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]phenyl]phenyl]-trimethylsilane (CID 176645314) is [3-[3-[4,6-bis[3-(3-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]phenyl]phenyl]-trimethylsilane.

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

The canonical SMILES for [3-[3-[4,6-bis[3-(3-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]phenyl]phenyl]-trimethylsilane is C[Si](C)(C)c1cccc(-c2cccc(-c3nc(-c4cccc(-c5cccc(-c6ccccc6)c5)c4)nc(-c4cccc(-c5cccc(-c6ccccc6)c5)c4)n3)c2)c1.

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

The InChIKey is XHQIFTAQKQWBOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H43N3Si/c1-58(2,3)51-31-15-27-47(37-51)46-26-14-30-50(36-46)54-56-52(48-28-12-24-44(34-48)42-22-10-20-40(32-42)38-16-6-4-7-17-38)55-53(57-54)49-29-13-25-45(35-49)43-23-11-21-41(33-43)39-18-8-5-9-19-39/h4-37H,1-3H3.

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

[3-[3-[4,6-bis[3-(3-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]phenyl]phenyl]-trimethylsilane has a molecular weight of 762.05 g/mol, XLogP of 13.75, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for [3-[3-[4,6-bis[3-(3-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]phenyl]phenyl]-trimethylsilane is sourced from PubChem (CID 176645314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).