trimethyl-[4-[4-(2-phenylphenyl)-6-[3-(9,9'-spirobi[fluorene]-2-yl)phenyl]-1,3,5-triazin-2-yl]phenyl]silane

C55H41N3Si — CID 177088259

About trimethyl-[4-[4-(2-phenylphenyl)-6-[3-(9,9'-spirobi[fluorene]-2-yl)phenyl]-1,3,5-triazin-2-yl]phenyl]silane

trimethyl-[4-[4-(2-phenylphenyl)-6-[3-(9,9'-spirobi[fluorene]-2-yl)phenyl]-1,3,5-triazin-2-yl]phenyl]silane (PubChem CID 177088259) has the molecular formula C55H41N3Si and a molecular weight of 772.04 g/mol. Its IUPAC name is trimethyl-[4-[4-(2-phenylphenyl)-6-[3-(9,9'-spirobi[fluorene]-2-yl)phenyl]-1,3,5-triazin-2-yl]phenyl]silane.

Molecular Properties

• Compound Name: trimethyl-[4-[4-(2-phenylphenyl)-6-[3-(9,9'-spirobi[fluorene]-2-yl)phenyl]-1,3,5-triazin-2-yl]phenyl]silane
• PubChem CID: 177088259
• Molecular Formula: C55H41N3Si
• Molecular Weight: 772.04 g/mol
• Exact Mass: 771.31
• IUPAC Name: trimethyl-[4-[4-(2-phenylphenyl)-6-[3-(9,9'-spirobi[fluorene]-2-yl)phenyl]-1,3,5-triazin-2-yl]phenyl]silane
• SMILES: C[Si](C)(C)c1ccc(-c2nc(-c3cccc(-c4ccc5c(c4)C4(c6ccccc6-c6ccccc64)c4ccccc4-5)c3)nc(-c3ccccc3-c3ccccc3)n2)cc1
• InChI: InChI=1S/C55H41N3Si/c1-59(2,3)41-31-28-37(29-32-41)52-56-53(58-54(57-52)47-24-8-7-20-42(47)36-16-5-4-6-17-36)40-19-15-18-38(34-40)39-30-33-46-45-23-11-14-27-50(45)55(51(46)35-39)48-25-12-9-21-43(48)44-22-10-13-26-49(44)55/h4-35H,1-3H3
• InChIKey: BZRMKJGYWYISAE-UHFFFAOYSA-N
• XLogP: 13.10
• TPSA: 38.67 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 6
• Heavy Atoms: 59
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	772.04
LogP ≤ 5	13.10
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-(2-phenylphenyl)-6-[3-(9,9'-spirobi[fluorene]-2-yl)phenyl]-1,3,5-triazin-2-yl]phenyl]silane?

The IUPAC name of trimethyl-[4-[4-(2-phenylphenyl)-6-[3-(9,9'-spirobi[fluorene]-2-yl)phenyl]-1,3,5-triazin-2-yl]phenyl]silane (CID 177088259) is trimethyl-[4-[4-(2-phenylphenyl)-6-[3-(9,9'-spirobi[fluorene]-2-yl)phenyl]-1,3,5-triazin-2-yl]phenyl]silane.

What is the SMILES notation for trimethyl-[4-[4-(2-phenylphenyl)-6-[3-(9,9'-spirobi[fluorene]-2-yl)phenyl]-1,3,5-triazin-2-yl]phenyl]silane?

The canonical SMILES for trimethyl-[4-[4-(2-phenylphenyl)-6-[3-(9,9'-spirobi[fluorene]-2-yl)phenyl]-1,3,5-triazin-2-yl]phenyl]silane is C[Si](C)(C)c1ccc(-c2nc(-c3cccc(-c4ccc5c(c4)C4(c6ccccc6-c6ccccc64)c4ccccc4-5)c3)nc(-c3ccccc3-c3ccccc3)n2)cc1.

What is the InChIKey of trimethyl-[4-[4-(2-phenylphenyl)-6-[3-(9,9'-spirobi[fluorene]-2-yl)phenyl]-1,3,5-triazin-2-yl]phenyl]silane?

The InChIKey is BZRMKJGYWYISAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C55H41N3Si/c1-59(2,3)41-31-28-37(29-32-41)52-56-53(58-54(57-52)47-24-8-7-20-42(47)36-16-5-4-6-17-36)40-19-15-18-38(34-40)39-30-33-46-45-23-11-14-27-50(45)55(51(46)35-39)48-25-12-9-21-43(48)44-22-10-13-26-49(44)55/h4-35H,1-3H3.

What are the key properties of trimethyl-[4-[4-(2-phenylphenyl)-6-[3-(9,9'-spirobi[fluorene]-2-yl)phenyl]-1,3,5-triazin-2-yl]phenyl]silane?

trimethyl-[4-[4-(2-phenylphenyl)-6-[3-(9,9'-spirobi[fluorene]-2-yl)phenyl]-1,3,5-triazin-2-yl]phenyl]silane has a molecular weight of 772.04 g/mol, XLogP of 13.10, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for trimethyl-[4-[4-(2-phenylphenyl)-6-[3-(9,9'-spirobi[fluorene]-2-yl)phenyl]-1,3,5-triazin-2-yl]phenyl]silane is sourced from PubChem (CID 177088259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).