[4-[7-[3-[4-[3-(1-benzofuran-2-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]-9,9-dimethylfluoren-3-yl]phenyl]-trimethylsilane

C53H43N3OSi — CID 177088254

About [4-[7-[3-[4-[3-(1-benzofuran-2-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]-9,9-dimethylfluoren-3-yl]phenyl]-trimethylsilane

[4-[7-[3-[4-[3-(1-benzofuran-2-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]-9,9-dimethylfluoren-3-yl]phenyl]-trimethylsilane (PubChem CID 177088254) has the molecular formula C53H43N3OSi and a molecular weight of 766.03 g/mol. Its IUPAC name is [4-[7-[3-[4-[3-(1-benzofuran-2-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]-9,9-dimethylfluoren-3-yl]phenyl]-trimethylsilane.

Molecular Properties

• Compound Name: [4-[7-[3-[4-[3-(1-benzofuran-2-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]-9,9-dimethylfluoren-3-yl]phenyl]-trimethylsilane
• PubChem CID: 177088254
• Molecular Formula: C53H43N3OSi
• Molecular Weight: 766.03 g/mol
• Exact Mass: 765.32
• IUPAC Name: [4-[7-[3-[4-[3-(1-benzofuran-2-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]-9,9-dimethylfluoren-3-yl]phenyl]-trimethylsilane
• SMILES: CC1(C)c2ccc(-c3ccc([Si](C)(C)C)cc3)cc2-c2ccc(-c3cccc(-c4nc(-c5ccccc5)nc(-c5cccc(-c6cc7ccccc7o6)c5)n4)c3)cc21
• InChI: InChI=1S/C53H43N3OSi/c1-53(2)46-28-24-37(34-21-25-43(26-22-34)58(3,4)5)31-45(46)44-27-23-38(32-47(44)53)36-16-11-18-41(29-36)51-54-50(35-13-7-6-8-14-35)55-52(56-51)42-19-12-17-39(30-42)49-33-40-15-9-10-20-48(40)57-49/h6-33H,1-5H3
• InChIKey: OLSYFMGTZWNJOU-UHFFFAOYSA-N
• XLogP: 13.47
• TPSA: 51.81 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 7
• Heavy Atoms: 58
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	766.03
LogP ≤ 5	13.47
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of [4-[7-[3-[4-[3-(1-benzofuran-2-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]-9,9-dimethylfluoren-3-yl]phenyl]-trimethylsilane?

The IUPAC name of [4-[7-[3-[4-[3-(1-benzofuran-2-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]-9,9-dimethylfluoren-3-yl]phenyl]-trimethylsilane (CID 177088254) is [4-[7-[3-[4-[3-(1-benzofuran-2-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]-9,9-dimethylfluoren-3-yl]phenyl]-trimethylsilane.

What is the SMILES notation for [4-[7-[3-[4-[3-(1-benzofuran-2-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]-9,9-dimethylfluoren-3-yl]phenyl]-trimethylsilane?

The canonical SMILES for [4-[7-[3-[4-[3-(1-benzofuran-2-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]-9,9-dimethylfluoren-3-yl]phenyl]-trimethylsilane is CC1(C)c2ccc(-c3ccc([Si](C)(C)C)cc3)cc2-c2ccc(-c3cccc(-c4nc(-c5ccccc5)nc(-c5cccc(-c6cc7ccccc7o6)c5)n4)c3)cc21.

What is the InChIKey of [4-[7-[3-[4-[3-(1-benzofuran-2-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]-9,9-dimethylfluoren-3-yl]phenyl]-trimethylsilane?

The InChIKey is OLSYFMGTZWNJOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C53H43N3OSi/c1-53(2)46-28-24-37(34-21-25-43(26-22-34)58(3,4)5)31-45(46)44-27-23-38(32-47(44)53)36-16-11-18-41(29-36)51-54-50(35-13-7-6-8-14-35)55-52(56-51)42-19-12-17-39(30-42)49-33-40-15-9-10-20-48(40)57-49/h6-33H,1-5H3.

What are the key properties of [4-[7-[3-[4-[3-(1-benzofuran-2-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]-9,9-dimethylfluoren-3-yl]phenyl]-trimethylsilane?

[4-[7-[3-[4-[3-(1-benzofuran-2-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]-9,9-dimethylfluoren-3-yl]phenyl]-trimethylsilane has a molecular weight of 766.03 g/mol, XLogP of 13.47, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for [4-[7-[3-[4-[3-(1-benzofuran-2-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]-9,9-dimethylfluoren-3-yl]phenyl]-trimethylsilane is sourced from PubChem (CID 177088254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).