[3-[6-carbazol-9-yl-2-[3-[4-phenyl-6-(3-triphenylsilylphenyl)-1,3,5-triazin-2-yl]phenyl]pyrimidin-4-yl]phenyl]-triphenylsilane

C79H56N6Si2 — CID 158779679

About [3-[6-carbazol-9-yl-2-[3-[4-phenyl-6-(3-triphenylsilylphenyl)-1,3,5-triazin-2-yl]phenyl]pyrimidin-4-yl]phenyl]-triphenylsilane

[3-[6-carbazol-9-yl-2-[3-[4-phenyl-6-(3-triphenylsilylphenyl)-1,3,5-triazin-2-yl]phenyl]pyrimidin-4-yl]phenyl]-triphenylsilane (PubChem CID 158779679) has the molecular formula C79H56N6Si2 and a molecular weight of 1145.53 g/mol. Its IUPAC name is [3-[6-carbazol-9-yl-2-[3-[4-phenyl-6-(3-triphenylsilylphenyl)-1,3,5-triazin-2-yl]phenyl]pyrimidin-4-yl]phenyl]-triphenylsilane.

Molecular Properties

• Compound Name: [3-[6-carbazol-9-yl-2-[3-[4-phenyl-6-(3-triphenylsilylphenyl)-1,3,5-triazin-2-yl]phenyl]pyrimidin-4-yl]phenyl]-triphenylsilane
• PubChem CID: 158779679
• Molecular Formula: C79H56N6Si2
• Molecular Weight: 1145.53 g/mol
• Exact Mass: 1144.41
• IUPAC Name: [3-[6-carbazol-9-yl-2-[3-[4-phenyl-6-(3-triphenylsilylphenyl)-1,3,5-triazin-2-yl]phenyl]pyrimidin-4-yl]phenyl]-triphenylsilane
• SMILES: c1ccc(-c2nc(-c3cccc(-c4nc(-c5cccc([Si](c6ccccc6)(c6ccccc6)c6ccccc6)c5)cc(-n5c6ccccc6c6ccccc65)n4)c3)nc(-c3cccc([Si](c4ccccc4)(c4ccccc4)c4ccccc4)c3)n2)cc1
• InChI: InChI=1S/C79H56N6Si2/c1-8-29-57(30-9-1)76-82-78(84-79(83-76)61-34-28-48-69(55-61)87(65-41-16-5-17-42-65,66-43-18-6-19-44-66)67-45-20-7-21-46-67)60-33-26-32-59(53-60)77-80-72(56-75(81-77)85-73-51-24-22-49-70(73)71-50-23-25-52-74(71)85)58-31-27-47-68(54-58)86(62-35-10-2-11-36-62,63-37-12-3-13-38-63)64-39-14-4-15-40-64/h1-56H
• InChIKey: GCPIVCYXBRDRNT-UHFFFAOYSA-N
• XLogP: 12.85
• TPSA: 69.38 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 14
• Heavy Atoms: 87
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1145.53
LogP ≤ 5	12.85
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

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-[6-carbazol-9-yl-2-[3-[4-phenyl-6-(3-triphenylsilylphenyl)-1,3,5-triazin-2-yl]phenyl]pyrimidin-4-yl]phenyl]-triphenylsilane?

The IUPAC name of [3-[6-carbazol-9-yl-2-[3-[4-phenyl-6-(3-triphenylsilylphenyl)-1,3,5-triazin-2-yl]phenyl]pyrimidin-4-yl]phenyl]-triphenylsilane (CID 158779679) is [3-[6-carbazol-9-yl-2-[3-[4-phenyl-6-(3-triphenylsilylphenyl)-1,3,5-triazin-2-yl]phenyl]pyrimidin-4-yl]phenyl]-triphenylsilane.

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

The canonical SMILES for [3-[6-carbazol-9-yl-2-[3-[4-phenyl-6-(3-triphenylsilylphenyl)-1,3,5-triazin-2-yl]phenyl]pyrimidin-4-yl]phenyl]-triphenylsilane is c1ccc(-c2nc(-c3cccc(-c4nc(-c5cccc([Si](c6ccccc6)(c6ccccc6)c6ccccc6)c5)cc(-n5c6ccccc6c6ccccc65)n4)c3)nc(-c3cccc([Si](c4ccccc4)(c4ccccc4)c4ccccc4)c3)n2)cc1.

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

The InChIKey is GCPIVCYXBRDRNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C79H56N6Si2/c1-8-29-57(30-9-1)76-82-78(84-79(83-76)61-34-28-48-69(55-61)87(65-41-16-5-17-42-65,66-43-18-6-19-44-66)67-45-20-7-21-46-67)60-33-26-32-59(53-60)77-80-72(56-75(81-77)85-73-51-24-22-49-70(73)71-50-23-25-52-74(71)85)58-31-27-47-68(54-58)86(62-35-10-2-11-36-62,63-37-12-3-13-38-63)64-39-14-4-15-40-64/h1-56H.

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

[3-[6-carbazol-9-yl-2-[3-[4-phenyl-6-(3-triphenylsilylphenyl)-1,3,5-triazin-2-yl]phenyl]pyrimidin-4-yl]phenyl]-triphenylsilane has a molecular weight of 1145.53 g/mol, XLogP of 12.85, 14 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for [3-[6-carbazol-9-yl-2-[3-[4-phenyl-6-(3-triphenylsilylphenyl)-1,3,5-triazin-2-yl]phenyl]pyrimidin-4-yl]phenyl]-triphenylsilane is sourced from PubChem (CID 158779679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).