[4-[2-carbazol-9-yl-6-(3-carbazol-9-ylcarbazol-9-yl)pyrimidin-4-yl]phenyl]-triphenylsilane

C64H43N5Si — CID 169282017

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

[4-[2-carbazol-9-yl-6-(3-carbazol-9-ylcarbazol-9-yl)pyrimidin-4-yl]phenyl]-triphenylsilane (PubChem CID 169282017) has the molecular formula C64H43N5Si and a molecular weight of 910.17 g/mol. Its IUPAC name is [4-[2-carbazol-9-yl-6-(3-carbazol-9-ylcarbazol-9-yl)pyrimidin-4-yl]phenyl]-triphenylsilane.

Molecular Properties

• Compound Name: [4-[2-carbazol-9-yl-6-(3-carbazol-9-ylcarbazol-9-yl)pyrimidin-4-yl]phenyl]-triphenylsilane
• PubChem CID: 169282017
• Molecular Formula: C64H43N5Si
• Molecular Weight: 910.17 g/mol
• Exact Mass: 909.33
• IUPAC Name: [4-[2-carbazol-9-yl-6-(3-carbazol-9-ylcarbazol-9-yl)pyrimidin-4-yl]phenyl]-triphenylsilane
• SMILES: c1ccc([Si](c2ccccc2)(c2ccccc2)c2ccc(-c3cc(-n4c5ccccc5c5cc(-n6c7ccccc7c7ccccc76)ccc54)nc(-n4c5ccccc5c5ccccc54)n3)cc2)cc1
• InChI: InChI=1S/C64H43N5Si/c1-4-20-46(21-5-1)70(47-22-6-2-7-23-47,48-24-8-3-9-25-48)49-39-36-44(37-40-49)56-43-63(66-64(65-56)69-60-34-18-12-28-52(60)53-29-13-19-35-61(53)69)68-59-33-17-14-30-54(59)55-42-45(38-41-62(55)68)67-57-31-15-10-26-50(57)51-27-11-16-32-58(51)67/h1-43H
• InChIKey: AHRJMTIZJRPRJN-UHFFFAOYSA-N
• XLogP: 12.81
• TPSA: 40.57 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 8
• Heavy Atoms: 70
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	910.17
LogP ≤ 5	12.81
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 [4-[2-carbazol-9-yl-6-(3-carbazol-9-ylcarbazol-9-yl)pyrimidin-4-yl]phenyl]-triphenylsilane?

The IUPAC name of [4-[2-carbazol-9-yl-6-(3-carbazol-9-ylcarbazol-9-yl)pyrimidin-4-yl]phenyl]-triphenylsilane (CID 169282017) is [4-[2-carbazol-9-yl-6-(3-carbazol-9-ylcarbazol-9-yl)pyrimidin-4-yl]phenyl]-triphenylsilane.

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

The canonical SMILES for [4-[2-carbazol-9-yl-6-(3-carbazol-9-ylcarbazol-9-yl)pyrimidin-4-yl]phenyl]-triphenylsilane is c1ccc([Si](c2ccccc2)(c2ccccc2)c2ccc(-c3cc(-n4c5ccccc5c5cc(-n6c7ccccc7c7ccccc76)ccc54)nc(-n4c5ccccc5c5ccccc54)n3)cc2)cc1.

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

The InChIKey is AHRJMTIZJRPRJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C64H43N5Si/c1-4-20-46(21-5-1)70(47-22-6-2-7-23-47,48-24-8-3-9-25-48)49-39-36-44(37-40-49)56-43-63(66-64(65-56)69-60-34-18-12-28-52(60)53-29-13-19-35-61(53)69)68-59-33-17-14-30-54(59)55-42-45(38-41-62(55)68)67-57-31-15-10-26-50(57)51-27-11-16-32-58(51)67/h1-43H.

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

[4-[2-carbazol-9-yl-6-(3-carbazol-9-ylcarbazol-9-yl)pyrimidin-4-yl]phenyl]-triphenylsilane has a molecular weight of 910.17 g/mol, XLogP of 12.81, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for [4-[2-carbazol-9-yl-6-(3-carbazol-9-ylcarbazol-9-yl)pyrimidin-4-yl]phenyl]-triphenylsilane is sourced from PubChem (CID 169282017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).