[3-[4-(3-carbazol-9-ylphenyl)-6-(2-dibenzothiophen-4-ylphenyl)-1,4-dihydro-1,3,5-triazin-2-yl]phenyl]-triphenylsilane

C63H44N4SSi — CID 176722272

About [3-[4-(3-carbazol-9-ylphenyl)-6-(2-dibenzothiophen-4-ylphenyl)-1,4-dihydro-1,3,5-triazin-2-yl]phenyl]-triphenylsilane

[3-[4-(3-carbazol-9-ylphenyl)-6-(2-dibenzothiophen-4-ylphenyl)-1,4-dihydro-1,3,5-triazin-2-yl]phenyl]-triphenylsilane (PubChem CID 176722272) has the molecular formula C63H44N4SSi and a molecular weight of 917.23 g/mol. Its IUPAC name is [3-[4-(3-carbazol-9-ylphenyl)-6-(2-dibenzothiophen-4-ylphenyl)-1,4-dihydro-1,3,5-triazin-2-yl]phenyl]-triphenylsilane.

Molecular Properties

• Compound Name: [3-[4-(3-carbazol-9-ylphenyl)-6-(2-dibenzothiophen-4-ylphenyl)-1,4-dihydro-1,3,5-triazin-2-yl]phenyl]-triphenylsilane
• PubChem CID: 176722272
• Molecular Formula: C63H44N4SSi
• Molecular Weight: 917.23 g/mol
• Exact Mass: 916.31
• IUPAC Name: [3-[4-(3-carbazol-9-ylphenyl)-6-(2-dibenzothiophen-4-ylphenyl)-1,4-dihydro-1,3,5-triazin-2-yl]phenyl]-triphenylsilane
• SMILES: c1ccc([Si](c2ccccc2)(c2ccccc2)c2cccc(C3=NC(c4cccc(-n5c6ccccc6c6ccccc65)c4)N=C(c4ccccc4-c4cccc5c4sc4ccccc45)N3)c2)cc1
• InChI: InChI=1S/C63H44N4SSi/c1-4-24-46(25-5-1)69(47-26-6-2-7-27-47,48-28-8-3-9-29-48)49-30-19-22-44(42-49)62-64-61(43-21-18-23-45(41-43)67-57-38-15-12-32-51(57)52-33-13-16-39-58(52)67)65-63(66-62)56-35-11-10-31-50(56)54-36-20-37-55-53-34-14-17-40-59(53)68-60(54)55/h1-42,61H,(H,64,65,66)
• InChIKey: OBZYRSYJXIZQPR-UHFFFAOYSA-N
• XLogP: 12.69
• TPSA: 41.68 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 9
• Heavy Atoms: 69
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	917.23
LogP ≤ 5	12.69
H-Bond Donors ≤ 5	1
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-(3-carbazol-9-ylphenyl)-6-(2-dibenzothiophen-4-ylphenyl)-1,4-dihydro-1,3,5-triazin-2-yl]phenyl]-triphenylsilane?

The IUPAC name of [3-[4-(3-carbazol-9-ylphenyl)-6-(2-dibenzothiophen-4-ylphenyl)-1,4-dihydro-1,3,5-triazin-2-yl]phenyl]-triphenylsilane (CID 176722272) is [3-[4-(3-carbazol-9-ylphenyl)-6-(2-dibenzothiophen-4-ylphenyl)-1,4-dihydro-1,3,5-triazin-2-yl]phenyl]-triphenylsilane.

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

The canonical SMILES for [3-[4-(3-carbazol-9-ylphenyl)-6-(2-dibenzothiophen-4-ylphenyl)-1,4-dihydro-1,3,5-triazin-2-yl]phenyl]-triphenylsilane is c1ccc([Si](c2ccccc2)(c2ccccc2)c2cccc(C3=NC(c4cccc(-n5c6ccccc6c6ccccc65)c4)N=C(c4ccccc4-c4cccc5c4sc4ccccc45)N3)c2)cc1.

What is the InChIKey of [3-[4-(3-carbazol-9-ylphenyl)-6-(2-dibenzothiophen-4-ylphenyl)-1,4-dihydro-1,3,5-triazin-2-yl]phenyl]-triphenylsilane?

The InChIKey is OBZYRSYJXIZQPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C63H44N4SSi/c1-4-24-46(25-5-1)69(47-26-6-2-7-27-47,48-28-8-3-9-29-48)49-30-19-22-44(42-49)62-64-61(43-21-18-23-45(41-43)67-57-38-15-12-32-51(57)52-33-13-16-39-58(52)67)65-63(66-62)56-35-11-10-31-50(56)54-36-20-37-55-53-34-14-17-40-59(53)68-60(54)55/h1-42,61H,(H,64,65,66).

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

[3-[4-(3-carbazol-9-ylphenyl)-6-(2-dibenzothiophen-4-ylphenyl)-1,4-dihydro-1,3,5-triazin-2-yl]phenyl]-triphenylsilane has a molecular weight of 917.23 g/mol, XLogP of 12.69, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for [3-[4-(3-carbazol-9-ylphenyl)-6-(2-dibenzothiophen-4-ylphenyl)-1,4-dihydro-1,3,5-triazin-2-yl]phenyl]-triphenylsilane is sourced from PubChem (CID 176722272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).