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

C51H43N3Si — CID 176645396

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

[4-[3-[3-[3-[4-(9,9-dimethylfluoren-2-yl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]phenyl]phenyl]phenyl]-trimethylsilane (PubChem CID 176645396) has the molecular formula C51H43N3Si and a molecular weight of 726.01 g/mol. Its IUPAC name is [4-[3-[3-[3-[4-(9,9-dimethylfluoren-2-yl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]phenyl]phenyl]phenyl]-trimethylsilane.

Molecular Properties

• Compound Name: [4-[3-[3-[3-[4-(9,9-dimethylfluoren-2-yl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]phenyl]phenyl]phenyl]-trimethylsilane
• PubChem CID: 176645396
• Molecular Formula: C51H43N3Si
• Molecular Weight: 726.01 g/mol
• Exact Mass: 725.32
• IUPAC Name: [4-[3-[3-[3-[4-(9,9-dimethylfluoren-2-yl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]phenyl]phenyl]phenyl]-trimethylsilane
• SMILES: CC1(C)c2ccccc2-c2ccc(-c3nc(-c4ccccc4)nc(-c4cccc(-c5cccc(-c6cccc(-c7ccc([Si](C)(C)C)cc7)c6)c5)c4)n3)cc21
• InChI: InChI=1S/C51H43N3Si/c1-51(2)46-23-10-9-22-44(46)45-29-26-42(33-47(45)51)50-53-48(35-14-7-6-8-15-35)52-49(54-50)41-21-13-20-40(32-41)39-19-12-18-38(31-39)37-17-11-16-36(30-37)34-24-27-43(28-25-34)55(3,4)5/h6-33H,1-5H3
• InChIKey: KRSJTSYITFUJSY-UHFFFAOYSA-N
• XLogP: 12.73
• TPSA: 38.67 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 7
• Heavy Atoms: 55
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	726.01
LogP ≤ 5	12.73
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 [4-[3-[3-[3-[4-(9,9-dimethylfluoren-2-yl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]phenyl]phenyl]phenyl]-trimethylsilane?

The IUPAC name of [4-[3-[3-[3-[4-(9,9-dimethylfluoren-2-yl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]phenyl]phenyl]phenyl]-trimethylsilane (CID 176645396) is [4-[3-[3-[3-[4-(9,9-dimethylfluoren-2-yl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]phenyl]phenyl]phenyl]-trimethylsilane.

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

The canonical SMILES for [4-[3-[3-[3-[4-(9,9-dimethylfluoren-2-yl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]phenyl]phenyl]phenyl]-trimethylsilane is CC1(C)c2ccccc2-c2ccc(-c3nc(-c4ccccc4)nc(-c4cccc(-c5cccc(-c6cccc(-c7ccc([Si](C)(C)C)cc7)c6)c5)c4)n3)cc21.

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

The InChIKey is KRSJTSYITFUJSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H43N3Si/c1-51(2)46-23-10-9-22-44(46)45-29-26-42(33-47(45)51)50-53-48(35-14-7-6-8-15-35)52-49(54-50)41-21-13-20-40(32-41)39-19-12-18-38(31-39)37-17-11-16-36(30-37)34-24-27-43(28-25-34)55(3,4)5/h6-33H,1-5H3.

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

[4-[3-[3-[3-[4-(9,9-dimethylfluoren-2-yl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]phenyl]phenyl]phenyl]-trimethylsilane has a molecular weight of 726.01 g/mol, XLogP of 12.73, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for [4-[3-[3-[3-[4-(9,9-dimethylfluoren-2-yl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]phenyl]phenyl]phenyl]-trimethylsilane is sourced from PubChem (CID 176645396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).