trimethyl-[4-[4-phenyl-6-[3-[3-(2',7,7'-tritert-butyl-9,9'-spirobi[fluorene]-2-yl)phenyl]phenyl]-1,3,5-triazin-2-yl]phenyl]silane

C67H65N3Si — CID 177088032

About trimethyl-[4-[4-phenyl-6-[3-[3-(2',7,7'-tritert-butyl-9,9'-spirobi[fluorene]-2-yl)phenyl]phenyl]-1,3,5-triazin-2-yl]phenyl]silane

trimethyl-[4-[4-phenyl-6-[3-[3-(2',7,7'-tritert-butyl-9,9'-spirobi[fluorene]-2-yl)phenyl]phenyl]-1,3,5-triazin-2-yl]phenyl]silane (PubChem CID 177088032) has the molecular formula C67H65N3Si and a molecular weight of 940.36 g/mol. Its IUPAC name is trimethyl-[4-[4-phenyl-6-[3-[3-(2',7,7'-tritert-butyl-9,9'-spirobi[fluorene]-2-yl)phenyl]phenyl]-1,3,5-triazin-2-yl]phenyl]silane.

Molecular Properties

• Compound Name: trimethyl-[4-[4-phenyl-6-[3-[3-(2',7,7'-tritert-butyl-9,9'-spirobi[fluorene]-2-yl)phenyl]phenyl]-1,3,5-triazin-2-yl]phenyl]silane
• PubChem CID: 177088032
• Molecular Formula: C67H65N3Si
• Molecular Weight: 940.36 g/mol
• Exact Mass: 939.49
• IUPAC Name: trimethyl-[4-[4-phenyl-6-[3-[3-(2',7,7'-tritert-butyl-9,9'-spirobi[fluorene]-2-yl)phenyl]phenyl]-1,3,5-triazin-2-yl]phenyl]silane
• SMILES: CC(C)(C)c1ccc2c(c1)C1(c3cc(-c4cccc(-c5cccc(-c6nc(-c7ccccc7)nc(-c7ccc([Si](C)(C)C)cc7)n6)c5)c4)ccc3-2)c2cc(C(C)(C)C)ccc2-c2ccc(C(C)(C)C)cc21
• InChI: InChI=1S/C67H65N3Si/c1-64(2,3)49-27-33-54-53-32-26-47(38-57(53)67(58(54)39-49)59-40-50(65(4,5)6)28-34-55(59)56-35-29-51(41-60(56)67)66(7,8)9)45-21-16-20-44(36-45)46-22-17-23-48(37-46)63-69-61(42-18-14-13-15-19-42)68-62(70-63)43-24-30-52(31-25-43)71(10,11)12/h13-41H,1-12H3
• InChIKey: UZXAIRUJBFWRIR-UHFFFAOYSA-N
• XLogP: 16.99
• TPSA: 38.67 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 6
• Heavy Atoms: 71
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	940.36
LogP ≤ 5	16.99
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-phenyl-6-[3-[3-(2',7,7'-tritert-butyl-9,9'-spirobi[fluorene]-2-yl)phenyl]phenyl]-1,3,5-triazin-2-yl]phenyl]silane?

The IUPAC name of trimethyl-[4-[4-phenyl-6-[3-[3-(2',7,7'-tritert-butyl-9,9'-spirobi[fluorene]-2-yl)phenyl]phenyl]-1,3,5-triazin-2-yl]phenyl]silane (CID 177088032) is trimethyl-[4-[4-phenyl-6-[3-[3-(2',7,7'-tritert-butyl-9,9'-spirobi[fluorene]-2-yl)phenyl]phenyl]-1,3,5-triazin-2-yl]phenyl]silane.

What is the SMILES notation for trimethyl-[4-[4-phenyl-6-[3-[3-(2',7,7'-tritert-butyl-9,9'-spirobi[fluorene]-2-yl)phenyl]phenyl]-1,3,5-triazin-2-yl]phenyl]silane?

The canonical SMILES for trimethyl-[4-[4-phenyl-6-[3-[3-(2',7,7'-tritert-butyl-9,9'-spirobi[fluorene]-2-yl)phenyl]phenyl]-1,3,5-triazin-2-yl]phenyl]silane is CC(C)(C)c1ccc2c(c1)C1(c3cc(-c4cccc(-c5cccc(-c6nc(-c7ccccc7)nc(-c7ccc([Si](C)(C)C)cc7)n6)c5)c4)ccc3-2)c2cc(C(C)(C)C)ccc2-c2ccc(C(C)(C)C)cc21.

What is the InChIKey of trimethyl-[4-[4-phenyl-6-[3-[3-(2',7,7'-tritert-butyl-9,9'-spirobi[fluorene]-2-yl)phenyl]phenyl]-1,3,5-triazin-2-yl]phenyl]silane?

The InChIKey is UZXAIRUJBFWRIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C67H65N3Si/c1-64(2,3)49-27-33-54-53-32-26-47(38-57(53)67(58(54)39-49)59-40-50(65(4,5)6)28-34-55(59)56-35-29-51(41-60(56)67)66(7,8)9)45-21-16-20-44(36-45)46-22-17-23-48(37-46)63-69-61(42-18-14-13-15-19-42)68-62(70-63)43-24-30-52(31-25-43)71(10,11)12/h13-41H,1-12H3.

What are the key properties of trimethyl-[4-[4-phenyl-6-[3-[3-(2',7,7'-tritert-butyl-9,9'-spirobi[fluorene]-2-yl)phenyl]phenyl]-1,3,5-triazin-2-yl]phenyl]silane?

trimethyl-[4-[4-phenyl-6-[3-[3-(2',7,7'-tritert-butyl-9,9'-spirobi[fluorene]-2-yl)phenyl]phenyl]-1,3,5-triazin-2-yl]phenyl]silane has a molecular weight of 940.36 g/mol, XLogP of 16.99, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for trimethyl-[4-[4-phenyl-6-[3-[3-(2',7,7'-tritert-butyl-9,9'-spirobi[fluorene]-2-yl)phenyl]phenyl]-1,3,5-triazin-2-yl]phenyl]silane is sourced from PubChem (CID 177088032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).