[3-[4-dibenzofuran-4-yl-6-(4-phenylcarbazol-9-yl)-1,3,5-triazin-2-yl]phenyl]-triphenylsilane

C57H38N4OSi — CID 176837812

About [3-[4-dibenzofuran-4-yl-6-(4-phenylcarbazol-9-yl)-1,3,5-triazin-2-yl]phenyl]-triphenylsilane

[3-[4-dibenzofuran-4-yl-6-(4-phenylcarbazol-9-yl)-1,3,5-triazin-2-yl]phenyl]-triphenylsilane (PubChem CID 176837812) has the molecular formula C57H38N4OSi and a molecular weight of 823.04 g/mol. Its IUPAC name is [3-[4-dibenzofuran-4-yl-6-(4-phenylcarbazol-9-yl)-1,3,5-triazin-2-yl]phenyl]-triphenylsilane.

Molecular Properties

• Compound Name: [3-[4-dibenzofuran-4-yl-6-(4-phenylcarbazol-9-yl)-1,3,5-triazin-2-yl]phenyl]-triphenylsilane
• PubChem CID: 176837812
• Molecular Formula: C57H38N4OSi
• Molecular Weight: 823.04 g/mol
• Exact Mass: 822.28
• IUPAC Name: [3-[4-dibenzofuran-4-yl-6-(4-phenylcarbazol-9-yl)-1,3,5-triazin-2-yl]phenyl]-triphenylsilane
• SMILES: c1ccc(-c2cccc3c2c2ccccc2n3-c2nc(-c3cccc([Si](c4ccccc4)(c4ccccc4)c4ccccc4)c3)nc(-c3cccc4c3oc3ccccc34)n2)cc1
• InChI: InChI=1S/C57H38N4OSi/c1-5-20-39(21-6-1)45-32-19-36-51-53(45)48-31-13-15-35-50(48)61(51)57-59-55(58-56(60-57)49-34-18-33-47-46-30-14-16-37-52(46)62-54(47)49)40-22-17-29-44(38-40)63(41-23-7-2-8-24-41,42-25-9-3-10-26-42)43-27-11-4-12-28-43/h1-38H
• InChIKey: YNCINWIWEQPBAF-UHFFFAOYSA-N
• XLogP: 11.25
• TPSA: 56.74 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 8
• Heavy Atoms: 63
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	823.04
LogP ≤ 5	11.25
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-dibenzofuran-4-yl-6-(4-phenylcarbazol-9-yl)-1,3,5-triazin-2-yl]phenyl]-triphenylsilane?

The IUPAC name of [3-[4-dibenzofuran-4-yl-6-(4-phenylcarbazol-9-yl)-1,3,5-triazin-2-yl]phenyl]-triphenylsilane (CID 176837812) is [3-[4-dibenzofuran-4-yl-6-(4-phenylcarbazol-9-yl)-1,3,5-triazin-2-yl]phenyl]-triphenylsilane.

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

The canonical SMILES for [3-[4-dibenzofuran-4-yl-6-(4-phenylcarbazol-9-yl)-1,3,5-triazin-2-yl]phenyl]-triphenylsilane is c1ccc(-c2cccc3c2c2ccccc2n3-c2nc(-c3cccc([Si](c4ccccc4)(c4ccccc4)c4ccccc4)c3)nc(-c3cccc4c3oc3ccccc34)n2)cc1.

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

The InChIKey is YNCINWIWEQPBAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C57H38N4OSi/c1-5-20-39(21-6-1)45-32-19-36-51-53(45)48-31-13-15-35-50(48)61(51)57-59-55(58-56(60-57)49-34-18-33-47-46-30-14-16-37-52(46)62-54(47)49)40-22-17-29-44(38-40)63(41-23-7-2-8-24-41,42-25-9-3-10-26-42)43-27-11-4-12-28-43/h1-38H.

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

[3-[4-dibenzofuran-4-yl-6-(4-phenylcarbazol-9-yl)-1,3,5-triazin-2-yl]phenyl]-triphenylsilane has a molecular weight of 823.04 g/mol, XLogP of 11.25, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for [3-[4-dibenzofuran-4-yl-6-(4-phenylcarbazol-9-yl)-1,3,5-triazin-2-yl]phenyl]-triphenylsilane is sourced from PubChem (CID 176837812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).