4-carbazol-9-yl-N,N-diphenyl-6-(3-triphenylsilylphenyl)-1,3,5-triazin-2-amine

C51H37N5Si — CID 148569527

About 4-carbazol-9-yl-N,N-diphenyl-6-(3-triphenylsilylphenyl)-1,3,5-triazin-2-amine

4-carbazol-9-yl-N,N-diphenyl-6-(3-triphenylsilylphenyl)-1,3,5-triazin-2-amine (PubChem CID 148569527) has the molecular formula C51H37N5Si and a molecular weight of 747.98 g/mol. Its IUPAC name is 4-carbazol-9-yl-N,N-diphenyl-6-(3-triphenylsilylphenyl)-1,3,5-triazin-2-amine.

Molecular Properties

• Compound Name: 4-carbazol-9-yl-N,N-diphenyl-6-(3-triphenylsilylphenyl)-1,3,5-triazin-2-amine
• PubChem CID: 148569527
• Molecular Formula: C51H37N5Si
• Molecular Weight: 747.98 g/mol
• Exact Mass: 747.28
• IUPAC Name: 4-carbazol-9-yl-N,N-diphenyl-6-(3-triphenylsilylphenyl)-1,3,5-triazin-2-amine
• SMILES: c1ccc(N(c2ccccc2)c2nc(-c3cccc([Si](c4ccccc4)(c4ccccc4)c4ccccc4)c3)nc(-n3c4ccccc4c4ccccc43)n2)cc1
• InChI: InChI=1S/C51H37N5Si/c1-6-22-39(23-7-1)55(40-24-8-2-9-25-40)50-52-49(53-51(54-50)56-47-35-18-16-33-45(47)46-34-17-19-36-48(46)56)38-21-20-32-44(37-38)57(41-26-10-3-11-27-41,42-28-12-4-13-29-42)43-30-14-5-15-31-43/h1-37H
• InChIKey: MWPLBESLRPRSDX-UHFFFAOYSA-N
• XLogP: 9.48
• TPSA: 46.84 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 9
• Heavy Atoms: 57
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	747.98
LogP ≤ 5	9.48
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 4-carbazol-9-yl-N,N-diphenyl-6-(3-triphenylsilylphenyl)-1,3,5-triazin-2-amine?

The IUPAC name of 4-carbazol-9-yl-N,N-diphenyl-6-(3-triphenylsilylphenyl)-1,3,5-triazin-2-amine (CID 148569527) is 4-carbazol-9-yl-N,N-diphenyl-6-(3-triphenylsilylphenyl)-1,3,5-triazin-2-amine.

What is the SMILES notation for 4-carbazol-9-yl-N,N-diphenyl-6-(3-triphenylsilylphenyl)-1,3,5-triazin-2-amine?

The canonical SMILES for 4-carbazol-9-yl-N,N-diphenyl-6-(3-triphenylsilylphenyl)-1,3,5-triazin-2-amine is c1ccc(N(c2ccccc2)c2nc(-c3cccc([Si](c4ccccc4)(c4ccccc4)c4ccccc4)c3)nc(-n3c4ccccc4c4ccccc43)n2)cc1.

What is the InChIKey of 4-carbazol-9-yl-N,N-diphenyl-6-(3-triphenylsilylphenyl)-1,3,5-triazin-2-amine?

The InChIKey is MWPLBESLRPRSDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H37N5Si/c1-6-22-39(23-7-1)55(40-24-8-2-9-25-40)50-52-49(53-51(54-50)56-47-35-18-16-33-45(47)46-34-17-19-36-48(46)56)38-21-20-32-44(37-38)57(41-26-10-3-11-27-41,42-28-12-4-13-29-42)43-30-14-5-15-31-43/h1-37H.

What are the key properties of 4-carbazol-9-yl-N,N-diphenyl-6-(3-triphenylsilylphenyl)-1,3,5-triazin-2-amine?

4-carbazol-9-yl-N,N-diphenyl-6-(3-triphenylsilylphenyl)-1,3,5-triazin-2-amine has a molecular weight of 747.98 g/mol, XLogP of 9.48, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 4-carbazol-9-yl-N,N-diphenyl-6-(3-triphenylsilylphenyl)-1,3,5-triazin-2-amine is sourced from PubChem (CID 148569527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).