[3-[4-(3-carbazol-9-ylcarbazol-9-yl)-6-dibenzofuran-1-ylpyrimidin-2-yl]phenyl]-triphenylsilane

C64H42N4OSi — CID 169282051

About [3-[4-(3-carbazol-9-ylcarbazol-9-yl)-6-dibenzofuran-1-ylpyrimidin-2-yl]phenyl]-triphenylsilane

[3-[4-(3-carbazol-9-ylcarbazol-9-yl)-6-dibenzofuran-1-ylpyrimidin-2-yl]phenyl]-triphenylsilane (PubChem CID 169282051) has the molecular formula C64H42N4OSi and a molecular weight of 911.15 g/mol. Its IUPAC name is [3-[4-(3-carbazol-9-ylcarbazol-9-yl)-6-dibenzofuran-1-ylpyrimidin-2-yl]phenyl]-triphenylsilane.

Molecular Properties

• Compound Name: [3-[4-(3-carbazol-9-ylcarbazol-9-yl)-6-dibenzofuran-1-ylpyrimidin-2-yl]phenyl]-triphenylsilane
• PubChem CID: 169282051
• Molecular Formula: C64H42N4OSi
• Molecular Weight: 911.15 g/mol
• Exact Mass: 910.31
• IUPAC Name: [3-[4-(3-carbazol-9-ylcarbazol-9-yl)-6-dibenzofuran-1-ylpyrimidin-2-yl]phenyl]-triphenylsilane
• SMILES: c1ccc([Si](c2ccccc2)(c2ccccc2)c2cccc(-c3nc(-c4cccc5oc6ccccc6c45)cc(-n4c5ccccc5c5cc(-n6c7ccccc7c7ccccc76)ccc54)n3)c2)cc1
• InChI: InChI=1S/C64H42N4OSi/c1-4-21-45(22-5-1)70(46-23-6-2-7-24-46,47-25-8-3-9-26-47)48-27-18-20-43(40-48)64-65-55(52-32-19-37-61-63(52)53-31-13-17-36-60(53)69-61)42-62(66-64)68-58-35-16-12-30-51(58)54-41-44(38-39-59(54)68)67-56-33-14-10-28-49(56)50-29-11-15-34-57(50)67/h1-42H
• InChIKey: RYPZVJVYKOCQGK-UHFFFAOYSA-N
• XLogP: 13.28
• TPSA: 48.78 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 8
• Heavy Atoms: 70
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	911.15
LogP ≤ 5	13.28
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-(3-carbazol-9-ylcarbazol-9-yl)-6-dibenzofuran-1-ylpyrimidin-2-yl]phenyl]-triphenylsilane?

The IUPAC name of [3-[4-(3-carbazol-9-ylcarbazol-9-yl)-6-dibenzofuran-1-ylpyrimidin-2-yl]phenyl]-triphenylsilane (CID 169282051) is [3-[4-(3-carbazol-9-ylcarbazol-9-yl)-6-dibenzofuran-1-ylpyrimidin-2-yl]phenyl]-triphenylsilane.

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

The canonical SMILES for [3-[4-(3-carbazol-9-ylcarbazol-9-yl)-6-dibenzofuran-1-ylpyrimidin-2-yl]phenyl]-triphenylsilane is c1ccc([Si](c2ccccc2)(c2ccccc2)c2cccc(-c3nc(-c4cccc5oc6ccccc6c45)cc(-n4c5ccccc5c5cc(-n6c7ccccc7c7ccccc76)ccc54)n3)c2)cc1.

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

The InChIKey is RYPZVJVYKOCQGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C64H42N4OSi/c1-4-21-45(22-5-1)70(46-23-6-2-7-24-46,47-25-8-3-9-26-47)48-27-18-20-43(40-48)64-65-55(52-32-19-37-61-63(52)53-31-13-17-36-60(53)69-61)42-62(66-64)68-58-35-16-12-30-51(58)54-41-44(38-39-59(54)68)67-56-33-14-10-28-49(56)50-29-11-15-34-57(50)67/h1-42H.

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

[3-[4-(3-carbazol-9-ylcarbazol-9-yl)-6-dibenzofuran-1-ylpyrimidin-2-yl]phenyl]-triphenylsilane has a molecular weight of 911.15 g/mol, XLogP of 13.28, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for [3-[4-(3-carbazol-9-ylcarbazol-9-yl)-6-dibenzofuran-1-ylpyrimidin-2-yl]phenyl]-triphenylsilane is sourced from PubChem (CID 169282051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).