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

C52H45N3Si2 — CID 177087886

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

trimethyl-[3-[4-[4-(9,9'-spirobi[fluorene]-2-yl)phenyl]-6-(3-trimethylsilylphenyl)-1,3,5-triazin-2-yl]phenyl]silane (PubChem CID 177087886) has the molecular formula C52H45N3Si2 and a molecular weight of 768.12 g/mol. Its IUPAC name is trimethyl-[3-[4-[4-(9,9'-spirobi[fluorene]-2-yl)phenyl]-6-(3-trimethylsilylphenyl)-1,3,5-triazin-2-yl]phenyl]silane.

Molecular Properties

• Compound Name: trimethyl-[3-[4-[4-(9,9'-spirobi[fluorene]-2-yl)phenyl]-6-(3-trimethylsilylphenyl)-1,3,5-triazin-2-yl]phenyl]silane
• PubChem CID: 177087886
• Molecular Formula: C52H45N3Si2
• Molecular Weight: 768.12 g/mol
• Exact Mass: 767.32
• IUPAC Name: trimethyl-[3-[4-[4-(9,9'-spirobi[fluorene]-2-yl)phenyl]-6-(3-trimethylsilylphenyl)-1,3,5-triazin-2-yl]phenyl]silane
• SMILES: C[Si](C)(C)c1cccc(-c2nc(-c3ccc(-c4ccc5c(c4)C4(c6ccccc6-c6ccccc64)c4ccccc4-5)cc3)nc(-c3cccc([Si](C)(C)C)c3)n2)c1
• InChI: InChI=1S/C52H45N3Si2/c1-56(2,3)39-17-13-15-37(31-39)50-53-49(54-51(55-50)38-16-14-18-40(32-38)57(4,5)6)35-27-25-34(26-28-35)36-29-30-44-43-21-9-12-24-47(43)52(48(44)33-36)45-22-10-7-19-41(45)42-20-8-11-23-46(42)52/h7-33H,1-6H3
• InChIKey: VYKBMCCXLFBKJB-UHFFFAOYSA-N
• XLogP: 11.97
• TPSA: 38.67 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 6
• Heavy Atoms: 57
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	768.12
LogP ≤ 5	11.97
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-[3-[4-[4-(9,9'-spirobi[fluorene]-2-yl)phenyl]-6-(3-trimethylsilylphenyl)-1,3,5-triazin-2-yl]phenyl]silane?

The IUPAC name of trimethyl-[3-[4-[4-(9,9'-spirobi[fluorene]-2-yl)phenyl]-6-(3-trimethylsilylphenyl)-1,3,5-triazin-2-yl]phenyl]silane (CID 177087886) is trimethyl-[3-[4-[4-(9,9'-spirobi[fluorene]-2-yl)phenyl]-6-(3-trimethylsilylphenyl)-1,3,5-triazin-2-yl]phenyl]silane.

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

The canonical SMILES for trimethyl-[3-[4-[4-(9,9'-spirobi[fluorene]-2-yl)phenyl]-6-(3-trimethylsilylphenyl)-1,3,5-triazin-2-yl]phenyl]silane is C[Si](C)(C)c1cccc(-c2nc(-c3ccc(-c4ccc5c(c4)C4(c6ccccc6-c6ccccc64)c4ccccc4-5)cc3)nc(-c3cccc([Si](C)(C)C)c3)n2)c1.

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

The InChIKey is VYKBMCCXLFBKJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H45N3Si2/c1-56(2,3)39-17-13-15-37(31-39)50-53-49(54-51(55-50)38-16-14-18-40(32-38)57(4,5)6)35-27-25-34(26-28-35)36-29-30-44-43-21-9-12-24-47(43)52(48(44)33-36)45-22-10-7-19-41(45)42-20-8-11-23-46(42)52/h7-33H,1-6H3.

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

trimethyl-[3-[4-[4-(9,9'-spirobi[fluorene]-2-yl)phenyl]-6-(3-trimethylsilylphenyl)-1,3,5-triazin-2-yl]phenyl]silane has a molecular weight of 768.12 g/mol, XLogP of 11.97, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for trimethyl-[3-[4-[4-(9,9'-spirobi[fluorene]-2-yl)phenyl]-6-(3-trimethylsilylphenyl)-1,3,5-triazin-2-yl]phenyl]silane is sourced from PubChem (CID 177087886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).