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

C51H34N4OSi — CID 164757108

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

[3-(4-carbazol-9-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-dibenzofuran-1-yl-diphenylsilane (PubChem CID 164757108) has the molecular formula C51H34N4OSi and a molecular weight of 746.95 g/mol. Its IUPAC name is [3-(4-carbazol-9-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-dibenzofuran-1-yl-diphenylsilane.

Molecular Properties

• Compound Name: [3-(4-carbazol-9-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-dibenzofuran-1-yl-diphenylsilane
• PubChem CID: 164757108
• Molecular Formula: C51H34N4OSi
• Molecular Weight: 746.95 g/mol
• Exact Mass: 746.25
• IUPAC Name: [3-(4-carbazol-9-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-dibenzofuran-1-yl-diphenylsilane
• SMILES: c1ccc(-c2nc(-c3cccc([Si](c4ccccc4)(c4ccccc4)c4cccc5oc6ccccc6c45)c3)nc(-n3c4ccccc4c4ccccc43)n2)cc1
• InChI: InChI=1S/C51H34N4OSi/c1-4-18-35(19-5-1)49-52-50(54-51(53-49)55-43-29-13-10-26-40(43)41-27-11-14-30-44(41)55)36-20-16-25-39(34-36)57(37-21-6-2-7-22-37,38-23-8-3-9-24-38)47-33-17-32-46-48(47)42-28-12-15-31-45(42)56-46/h1-34H
• InChIKey: BSGMKNODMZVVPZ-UHFFFAOYSA-N
• XLogP: 9.58
• TPSA: 56.74 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 57
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	746.95
LogP ≤ 5	9.58
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-carbazol-9-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-dibenzofuran-1-yl-diphenylsilane?

The IUPAC name of [3-(4-carbazol-9-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-dibenzofuran-1-yl-diphenylsilane (CID 164757108) is [3-(4-carbazol-9-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-dibenzofuran-1-yl-diphenylsilane.

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

The canonical SMILES for [3-(4-carbazol-9-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-dibenzofuran-1-yl-diphenylsilane is c1ccc(-c2nc(-c3cccc([Si](c4ccccc4)(c4ccccc4)c4cccc5oc6ccccc6c45)c3)nc(-n3c4ccccc4c4ccccc43)n2)cc1.

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

The InChIKey is BSGMKNODMZVVPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H34N4OSi/c1-4-18-35(19-5-1)49-52-50(54-51(53-49)55-43-29-13-10-26-40(43)41-27-11-14-30-44(41)55)36-20-16-25-39(34-36)57(37-21-6-2-7-22-37,38-23-8-3-9-24-38)47-33-17-32-46-48(47)42-28-12-15-31-45(42)56-46/h1-34H.

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

[3-(4-carbazol-9-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-dibenzofuran-1-yl-diphenylsilane has a molecular weight of 746.95 g/mol, XLogP of 9.58, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for [3-(4-carbazol-9-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-dibenzofuran-1-yl-diphenylsilane is sourced from PubChem (CID 164757108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).