[3-[4-[3-(10-azatricyclo[4.3.1.03,8]decan-10-yl)carbazol-9-yl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]-triphenylsilane

C54H45N5Si — CID 174105365

About [3-[4-[3-(10-azatricyclo[4.3.1.03,8]decan-10-yl)carbazol-9-yl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]-triphenylsilane

[3-[4-[3-(10-azatricyclo[4.3.1.03,8]decan-10-yl)carbazol-9-yl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]-triphenylsilane (PubChem CID 174105365) has the molecular formula C54H45N5Si and a molecular weight of 792.08 g/mol. Its IUPAC name is [3-[4-[3-(10-azatricyclo[4.3.1.03,8]decan-10-yl)carbazol-9-yl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]-triphenylsilane.

Molecular Properties

• Compound Name: [3-[4-[3-(10-azatricyclo[4.3.1.03,8]decan-10-yl)carbazol-9-yl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]-triphenylsilane
• PubChem CID: 174105365
• Molecular Formula: C54H45N5Si
• Molecular Weight: 792.08 g/mol
• Exact Mass: 791.34
• IUPAC Name: [3-[4-[3-(10-azatricyclo[4.3.1.03,8]decan-10-yl)carbazol-9-yl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]-triphenylsilane
• SMILES: c1ccc(-c2nc(-c3cccc([Si](c4ccccc4)(c4ccccc4)c4ccccc4)c3)nc(-n3c4ccccc4c4cc(N5C6CCC7CC5CC7C6)ccc43)n2)cc1
• InChI: InChI=1S/C54H45N5Si/c1-5-16-37(17-6-1)52-55-53(39-18-15-25-47(35-39)60(44-19-7-2-8-20-44,45-21-9-3-10-22-45)46-23-11-4-12-24-46)57-54(56-52)59-50-27-14-13-26-48(50)49-36-42(30-31-51(49)59)58-41-29-28-38-32-43(58)34-40(38)33-41/h1-27,30-31,35-36,38,40-41,43H,28-29,32-34H2
• InChIKey: SPVJUPCKUHSJMV-UHFFFAOYSA-N
• XLogP: 9.45
• TPSA: 46.84 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 8
• Heavy Atoms: 60
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	792.08
LogP ≤ 5	9.45
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of [3-[4-[3-(10-azatricyclo[4.3.1.03,8]decan-10-yl)carbazol-9-yl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]-triphenylsilane?

The IUPAC name of [3-[4-[3-(10-azatricyclo[4.3.1.03,8]decan-10-yl)carbazol-9-yl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]-triphenylsilane (CID 174105365) is [3-[4-[3-(10-azatricyclo[4.3.1.03,8]decan-10-yl)carbazol-9-yl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]-triphenylsilane.

What is the SMILES notation for [3-[4-[3-(10-azatricyclo[4.3.1.03,8]decan-10-yl)carbazol-9-yl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]-triphenylsilane?

The canonical SMILES for [3-[4-[3-(10-azatricyclo[4.3.1.03,8]decan-10-yl)carbazol-9-yl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]-triphenylsilane is c1ccc(-c2nc(-c3cccc([Si](c4ccccc4)(c4ccccc4)c4ccccc4)c3)nc(-n3c4ccccc4c4cc(N5C6CCC7CC5CC7C6)ccc43)n2)cc1.

What is the InChIKey of [3-[4-[3-(10-azatricyclo[4.3.1.03,8]decan-10-yl)carbazol-9-yl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]-triphenylsilane?

The InChIKey is SPVJUPCKUHSJMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H45N5Si/c1-5-16-37(17-6-1)52-55-53(39-18-15-25-47(35-39)60(44-19-7-2-8-20-44,45-21-9-3-10-22-45)46-23-11-4-12-24-46)57-54(56-52)59-50-27-14-13-26-48(50)49-36-42(30-31-51(49)59)58-41-29-28-38-32-43(58)34-40(38)33-41/h1-27,30-31,35-36,38,40-41,43H,28-29,32-34H2.

What are the key properties of [3-[4-[3-(10-azatricyclo[4.3.1.03,8]decan-10-yl)carbazol-9-yl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]-triphenylsilane?

[3-[4-[3-(10-azatricyclo[4.3.1.03,8]decan-10-yl)carbazol-9-yl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]-triphenylsilane has a molecular weight of 792.08 g/mol, XLogP of 9.45, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for [3-[4-[3-(10-azatricyclo[4.3.1.03,8]decan-10-yl)carbazol-9-yl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]-triphenylsilane is sourced from PubChem (CID 174105365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).