N-triphenylen-2-yl-N-(4-triphenylsilylphenyl)dibenzofuran-3-amine

C₅₄H₃₇NOSi — CID 140709051

About N-triphenylen-2-yl-N-(4-triphenylsilylphenyl)dibenzofuran-3-amine

N-triphenylen-2-yl-N-(4-triphenylsilylphenyl)dibenzofuran-3-amine (PubChem CID 140709051) has the molecular formula C₅₄H₃₇NOSi and a molecular weight of 743.98 g/mol. Its IUPAC name is N-triphenylen-2-yl-N-(4-triphenylsilylphenyl)dibenzofuran-3-amine.

Molecular Properties

• Compound Name: N-triphenylen-2-yl-N-(4-triphenylsilylphenyl)dibenzofuran-3-amine
• PubChem CID: 140709051
• Molecular Formula: C₅₄H₃₇NOSi
• Molecular Weight: 743.98 g/mol
• Exact Mass: 743.26
• IUPAC Name: N-triphenylen-2-yl-N-(4-triphenylsilylphenyl)dibenzofuran-3-amine
• SMILES: c1ccc([Si](c2ccccc2)(c2ccccc2)c2ccc(N(c3ccc4c(c3)oc3ccccc34)c3ccc4c5ccccc5c5ccccc5c4c3)cc2)cc1
• InChI: InChI=1S/C54H37NOSi/c1-4-16-41(17-5-1)57(42-18-6-2-7-19-42,43-20-8-3-9-21-43)44-32-28-38(29-33-44)55(40-31-35-51-50-26-14-15-27-53(50)56-54(51)37-40)39-30-34-49-47-24-11-10-22-45(47)46-23-12-13-25-48(46)52(49)36-39/h1-37H
• InChIKey: INGFJENPBUOTTE-UHFFFAOYSA-N
• XLogP: 11.89
• TPSA: 16.38 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 7
• Heavy Atoms: 57
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	743.98
LogP ≤ 5	11.89
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}, {'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-triphenylen-2-yl-N-(4-triphenylsilylphenyl)dibenzofuran-3-amine?

The IUPAC name of N-triphenylen-2-yl-N-(4-triphenylsilylphenyl)dibenzofuran-3-amine (CID 140709051) is N-triphenylen-2-yl-N-(4-triphenylsilylphenyl)dibenzofuran-3-amine.

What is the SMILES notation for N-triphenylen-2-yl-N-(4-triphenylsilylphenyl)dibenzofuran-3-amine?

The canonical SMILES for N-triphenylen-2-yl-N-(4-triphenylsilylphenyl)dibenzofuran-3-amine is c1ccc([Si](c2ccccc2)(c2ccccc2)c2ccc(N(c3ccc4c(c3)oc3ccccc34)c3ccc4c5ccccc5c5ccccc5c4c3)cc2)cc1.

What is the InChIKey of N-triphenylen-2-yl-N-(4-triphenylsilylphenyl)dibenzofuran-3-amine?

The InChIKey is INGFJENPBUOTTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H37NOSi/c1-4-16-41(17-5-1)57(42-18-6-2-7-19-42,43-20-8-3-9-21-43)44-32-28-38(29-33-44)55(40-31-35-51-50-26-14-15-27-53(50)56-54(51)37-40)39-30-34-49-47-24-11-10-22-45(47)46-23-12-13-25-48(46)52(49)36-39/h1-37H.

What are the key properties of N-triphenylen-2-yl-N-(4-triphenylsilylphenyl)dibenzofuran-3-amine?

N-triphenylen-2-yl-N-(4-triphenylsilylphenyl)dibenzofuran-3-amine has a molecular weight of 743.98 g/mol, XLogP of 11.89, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for N-triphenylen-2-yl-N-(4-triphenylsilylphenyl)dibenzofuran-3-amine is sourced from PubChem (CID 140709051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 140709051 — identifiers, structure, computed properties (public domain)

How this page is built: methodology · editorial policy & corrections.