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

C47H41N3Si — CID 177088340

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

trimethyl-[4-[4-phenyl-6-[3-(3-spiro[cyclopentane-1,9'-fluorene]-2'-ylphenyl)phenyl]-1,3,5-triazin-2-yl]phenyl]silane (PubChem CID 177088340) has the molecular formula C47H41N3Si and a molecular weight of 675.95 g/mol. Its IUPAC name is trimethyl-[4-[4-phenyl-6-[3-(3-spiro[cyclopentane-1,9'-fluorene]-2'-ylphenyl)phenyl]-1,3,5-triazin-2-yl]phenyl]silane.

Molecular Properties

• Compound Name: trimethyl-[4-[4-phenyl-6-[3-(3-spiro[cyclopentane-1,9'-fluorene]-2'-ylphenyl)phenyl]-1,3,5-triazin-2-yl]phenyl]silane
• PubChem CID: 177088340
• Molecular Formula: C47H41N3Si
• Molecular Weight: 675.95 g/mol
• Exact Mass: 675.31
• IUPAC Name: trimethyl-[4-[4-phenyl-6-[3-(3-spiro[cyclopentane-1,9'-fluorene]-2'-ylphenyl)phenyl]-1,3,5-triazin-2-yl]phenyl]silane
• SMILES: C[Si](C)(C)c1ccc(-c2nc(-c3ccccc3)nc(-c3cccc(-c4cccc(-c5ccc6c(c5)C5(CCCC5)c5ccccc5-6)c4)c3)n2)cc1
• InChI: InChI=1S/C47H41N3Si/c1-51(2,3)39-24-21-33(22-25-39)45-48-44(32-13-5-4-6-14-32)49-46(50-45)38-18-12-17-36(30-38)34-15-11-16-35(29-34)37-23-26-41-40-19-7-8-20-42(40)47(43(41)31-37)27-9-10-28-47/h4-8,11-26,29-31H,9-10,27-28H2,1-3H3
• InChIKey: GJFUFJNDHCISRL-UHFFFAOYSA-N
• XLogP: 11.59
• TPSA: 38.67 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 6
• Heavy Atoms: 51
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	675.95
LogP ≤ 5	11.59
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-spiro[cyclopentane-1,9'-fluorene]-2'-ylphenyl)phenyl]-1,3,5-triazin-2-yl]phenyl]silane?

The IUPAC name of trimethyl-[4-[4-phenyl-6-[3-(3-spiro[cyclopentane-1,9'-fluorene]-2'-ylphenyl)phenyl]-1,3,5-triazin-2-yl]phenyl]silane (CID 177088340) is trimethyl-[4-[4-phenyl-6-[3-(3-spiro[cyclopentane-1,9'-fluorene]-2'-ylphenyl)phenyl]-1,3,5-triazin-2-yl]phenyl]silane.

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

The canonical SMILES for trimethyl-[4-[4-phenyl-6-[3-(3-spiro[cyclopentane-1,9'-fluorene]-2'-ylphenyl)phenyl]-1,3,5-triazin-2-yl]phenyl]silane is C[Si](C)(C)c1ccc(-c2nc(-c3ccccc3)nc(-c3cccc(-c4cccc(-c5ccc6c(c5)C5(CCCC5)c5ccccc5-6)c4)c3)n2)cc1.

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

The InChIKey is GJFUFJNDHCISRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C47H41N3Si/c1-51(2,3)39-24-21-33(22-25-39)45-48-44(32-13-5-4-6-14-32)49-46(50-45)38-18-12-17-36(30-38)34-15-11-16-35(29-34)37-23-26-41-40-19-7-8-20-42(40)47(43(41)31-37)27-9-10-28-47/h4-8,11-26,29-31H,9-10,27-28H2,1-3H3.

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

trimethyl-[4-[4-phenyl-6-[3-(3-spiro[cyclopentane-1,9'-fluorene]-2'-ylphenyl)phenyl]-1,3,5-triazin-2-yl]phenyl]silane has a molecular weight of 675.95 g/mol, XLogP of 11.59, 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-spiro[cyclopentane-1,9'-fluorene]-2'-ylphenyl)phenyl]-1,3,5-triazin-2-yl]phenyl]silane is sourced from PubChem (CID 177088340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).