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

C57H38N4OSi — CID 176837798

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

[3-[4-(4-dibenzofuran-2-ylcarbazol-9-yl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-triphenylsilane (PubChem CID 176837798) has the molecular formula C57H38N4OSi and a molecular weight of 823.04 g/mol. Its IUPAC name is [3-[4-(4-dibenzofuran-2-ylcarbazol-9-yl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-triphenylsilane.

Molecular Properties

• Compound Name: [3-[4-(4-dibenzofuran-2-ylcarbazol-9-yl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-triphenylsilane
• PubChem CID: 176837798
• Molecular Formula: C57H38N4OSi
• Molecular Weight: 823.04 g/mol
• Exact Mass: 822.28
• IUPAC Name: [3-[4-(4-dibenzofuran-2-ylcarbazol-9-yl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-triphenylsilane
• SMILES: c1ccc(-c2nc(-c3cccc([Si](c4ccccc4)(c4ccccc4)c4ccccc4)c3)nc(-n3c4ccccc4c4c(-c5ccc6oc7ccccc7c6c5)cccc43)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)61-50-32-15-13-30-48(50)54-46(31-18-33-51(54)61)40-35-36-53-49(38-40)47-29-14-16-34-52(47)62-53/h1-38H
• InChIKey: DVGCCYVLEITNMI-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-(4-dibenzofuran-2-ylcarbazol-9-yl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-triphenylsilane?

The IUPAC name of [3-[4-(4-dibenzofuran-2-ylcarbazol-9-yl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-triphenylsilane (CID 176837798) is [3-[4-(4-dibenzofuran-2-ylcarbazol-9-yl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-triphenylsilane.

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

The canonical SMILES for [3-[4-(4-dibenzofuran-2-ylcarbazol-9-yl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-triphenylsilane is c1ccc(-c2nc(-c3cccc([Si](c4ccccc4)(c4ccccc4)c4ccccc4)c3)nc(-n3c4ccccc4c4c(-c5ccc6oc7ccccc7c6c5)cccc43)n2)cc1.

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

The InChIKey is DVGCCYVLEITNMI-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)61-50-32-15-13-30-48(50)54-46(31-18-33-51(54)61)40-35-36-53-49(38-40)47-29-14-16-34-52(47)62-53/h1-38H.

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

[3-[4-(4-dibenzofuran-2-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-(4-dibenzofuran-2-ylcarbazol-9-yl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-triphenylsilane is sourced from PubChem (CID 176837798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).