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

C57H38N4OSi — CID 176837818

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

[3-[4-(2-dibenzofuran-4-ylcarbazol-9-yl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-triphenylsilane (PubChem CID 176837818) has the molecular formula C57H38N4OSi and a molecular weight of 823.04 g/mol. Its IUPAC name is [3-[4-(2-dibenzofuran-4-ylcarbazol-9-yl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-triphenylsilane.

Molecular Properties

• Compound Name: [3-[4-(2-dibenzofuran-4-ylcarbazol-9-yl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-triphenylsilane
• PubChem CID: 176837818
• Molecular Formula: C57H38N4OSi
• Molecular Weight: 823.04 g/mol
• Exact Mass: 822.28
• IUPAC Name: [3-[4-(2-dibenzofuran-4-ylcarbazol-9-yl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-triphenylsilane
• SMILES: c1ccc(-c2nc(-c3cccc([Si](c4ccccc4)(c4ccccc4)c4ccccc4)c3)nc(-n3c4ccccc4c4ccc(-c5cccc6c5oc5ccccc56)cc43)n2)cc1
• InChI: InChI=1S/C57H38N4OSi/c1-5-19-39(20-6-1)55-58-56(41-21-17-28-45(37-41)63(42-22-7-2-8-23-42,43-24-9-3-10-25-43)44-26-11-4-12-27-44)60-57(59-55)61-51-33-15-13-29-47(51)48-36-35-40(38-52(48)61)46-31-18-32-50-49-30-14-16-34-53(49)62-54(46)50/h1-38H
• InChIKey: XCVBDVUXXAPOGS-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-(2-dibenzofuran-4-ylcarbazol-9-yl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-triphenylsilane?

The IUPAC name of [3-[4-(2-dibenzofuran-4-ylcarbazol-9-yl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-triphenylsilane (CID 176837818) is [3-[4-(2-dibenzofuran-4-ylcarbazol-9-yl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-triphenylsilane.

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

The canonical SMILES for [3-[4-(2-dibenzofuran-4-ylcarbazol-9-yl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-triphenylsilane is c1ccc(-c2nc(-c3cccc([Si](c4ccccc4)(c4ccccc4)c4ccccc4)c3)nc(-n3c4ccccc4c4ccc(-c5cccc6c5oc5ccccc56)cc43)n2)cc1.

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

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

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

[3-[4-(2-dibenzofuran-4-ylcarbazol-9-yl)-6-phenyl-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-(2-dibenzofuran-4-ylcarbazol-9-yl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-triphenylsilane is sourced from PubChem (CID 176837818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).