2-carbazol-9-yl-N,N-diphenyl-6-(3-triphenylsilylphenyl)pyrimidin-4-amine

C52H38N4Si — CID 162774006

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

2-carbazol-9-yl-N,N-diphenyl-6-(3-triphenylsilylphenyl)pyrimidin-4-amine (PubChem CID 162774006) has the molecular formula C52H38N4Si and a molecular weight of 746.99 g/mol. Its IUPAC name is 2-carbazol-9-yl-N,N-diphenyl-6-(3-triphenylsilylphenyl)pyrimidin-4-amine.

Molecular Properties

• Compound Name: 2-carbazol-9-yl-N,N-diphenyl-6-(3-triphenylsilylphenyl)pyrimidin-4-amine
• PubChem CID: 162774006
• Molecular Formula: C52H38N4Si
• Molecular Weight: 746.99 g/mol
• Exact Mass: 746.29
• IUPAC Name: 2-carbazol-9-yl-N,N-diphenyl-6-(3-triphenylsilylphenyl)pyrimidin-4-amine
• SMILES: c1ccc(N(c2ccccc2)c2cc(-c3cccc([Si](c4ccccc4)(c4ccccc4)c4ccccc4)c3)nc(-n3c4ccccc4c4ccccc43)n2)cc1
• InChI: InChI=1S/C52H38N4Si/c1-6-22-40(23-7-1)55(41-24-8-2-9-25-41)51-38-48(53-52(54-51)56-49-35-18-16-33-46(49)47-34-17-19-36-50(47)56)39-21-20-32-45(37-39)57(42-26-10-3-11-27-42,43-28-12-4-13-29-43)44-30-14-5-15-31-44/h1-38H
• InChIKey: LLTLHWSRDOUDNS-UHFFFAOYSA-N
• XLogP: 10.09
• TPSA: 33.95 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 9
• Heavy Atoms: 57
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	746.99
LogP ≤ 5	10.09
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

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 2-carbazol-9-yl-N,N-diphenyl-6-(3-triphenylsilylphenyl)pyrimidin-4-amine?

The IUPAC name of 2-carbazol-9-yl-N,N-diphenyl-6-(3-triphenylsilylphenyl)pyrimidin-4-amine (CID 162774006) is 2-carbazol-9-yl-N,N-diphenyl-6-(3-triphenylsilylphenyl)pyrimidin-4-amine.

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

The canonical SMILES for 2-carbazol-9-yl-N,N-diphenyl-6-(3-triphenylsilylphenyl)pyrimidin-4-amine is c1ccc(N(c2ccccc2)c2cc(-c3cccc([Si](c4ccccc4)(c4ccccc4)c4ccccc4)c3)nc(-n3c4ccccc4c4ccccc43)n2)cc1.

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

The InChIKey is LLTLHWSRDOUDNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H38N4Si/c1-6-22-40(23-7-1)55(41-24-8-2-9-25-41)51-38-48(53-52(54-51)56-49-35-18-16-33-46(49)47-34-17-19-36-50(47)56)39-21-20-32-45(37-39)57(42-26-10-3-11-27-42,43-28-12-4-13-29-43)44-30-14-5-15-31-44/h1-38H.

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

2-carbazol-9-yl-N,N-diphenyl-6-(3-triphenylsilylphenyl)pyrimidin-4-amine has a molecular weight of 746.99 g/mol, XLogP of 10.09, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2-carbazol-9-yl-N,N-diphenyl-6-(3-triphenylsilylphenyl)pyrimidin-4-amine is sourced from PubChem (CID 162774006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).