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

C76H50N6Si — CID 169282069

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

[4-[6-(2-carbazol-9-ylcarbazol-9-yl)-2-(3-carbazol-9-ylcarbazol-9-yl)pyrimidin-4-yl]phenyl]-triphenylsilane (PubChem CID 169282069) has the molecular formula C76H50N6Si and a molecular weight of 1075.36 g/mol. Its IUPAC name is [4-[6-(2-carbazol-9-ylcarbazol-9-yl)-2-(3-carbazol-9-ylcarbazol-9-yl)pyrimidin-4-yl]phenyl]-triphenylsilane.

Molecular Properties

• Compound Name: [4-[6-(2-carbazol-9-ylcarbazol-9-yl)-2-(3-carbazol-9-ylcarbazol-9-yl)pyrimidin-4-yl]phenyl]-triphenylsilane
• PubChem CID: 169282069
• Molecular Formula: C76H50N6Si
• Molecular Weight: 1075.36 g/mol
• Exact Mass: 1074.39
• IUPAC Name: [4-[6-(2-carbazol-9-ylcarbazol-9-yl)-2-(3-carbazol-9-ylcarbazol-9-yl)pyrimidin-4-yl]phenyl]-triphenylsilane
• SMILES: c1ccc([Si](c2ccccc2)(c2ccccc2)c2ccc(-c3cc(-n4c5ccccc5c5ccc(-n6c7ccccc7c7ccccc76)cc54)nc(-n4c5ccccc5c5cc(-n6c7ccccc7c7ccccc76)ccc54)n3)cc2)cc1
• InChI: InChI=1S/C76H50N6Si/c1-4-22-54(23-5-1)83(55-24-6-2-7-25-55,56-26-8-3-9-27-56)57-44-40-51(41-45-57)66-50-75(81-71-38-20-14-32-62(71)64-46-42-53(49-74(64)81)80-69-36-18-12-30-60(69)61-31-13-19-37-70(61)80)78-76(77-66)82-72-39-21-15-33-63(72)65-48-52(43-47-73(65)82)79-67-34-16-10-28-58(67)59-29-11-17-35-68(59)79/h1-50H
• InChIKey: VOBFLDGJHZAJJU-UHFFFAOYSA-N
• XLogP: 15.91
• TPSA: 45.50 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 9
• Heavy Atoms: 83
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1075.36
LogP ≤ 5	15.91
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 [4-[6-(2-carbazol-9-ylcarbazol-9-yl)-2-(3-carbazol-9-ylcarbazol-9-yl)pyrimidin-4-yl]phenyl]-triphenylsilane?

The IUPAC name of [4-[6-(2-carbazol-9-ylcarbazol-9-yl)-2-(3-carbazol-9-ylcarbazol-9-yl)pyrimidin-4-yl]phenyl]-triphenylsilane (CID 169282069) is [4-[6-(2-carbazol-9-ylcarbazol-9-yl)-2-(3-carbazol-9-ylcarbazol-9-yl)pyrimidin-4-yl]phenyl]-triphenylsilane.

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

The canonical SMILES for [4-[6-(2-carbazol-9-ylcarbazol-9-yl)-2-(3-carbazol-9-ylcarbazol-9-yl)pyrimidin-4-yl]phenyl]-triphenylsilane is c1ccc([Si](c2ccccc2)(c2ccccc2)c2ccc(-c3cc(-n4c5ccccc5c5ccc(-n6c7ccccc7c7ccccc76)cc54)nc(-n4c5ccccc5c5cc(-n6c7ccccc7c7ccccc76)ccc54)n3)cc2)cc1.

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

The InChIKey is VOBFLDGJHZAJJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C76H50N6Si/c1-4-22-54(23-5-1)83(55-24-6-2-7-25-55,56-26-8-3-9-27-56)57-44-40-51(41-45-57)66-50-75(81-71-38-20-14-32-62(71)64-46-42-53(49-74(64)81)80-69-36-18-12-30-60(69)61-31-13-19-37-70(61)80)78-76(77-66)82-72-39-21-15-33-63(72)65-48-52(43-47-73(65)82)79-67-34-16-10-28-58(67)59-29-11-17-35-68(59)79/h1-50H.

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

[4-[6-(2-carbazol-9-ylcarbazol-9-yl)-2-(3-carbazol-9-ylcarbazol-9-yl)pyrimidin-4-yl]phenyl]-triphenylsilane has a molecular weight of 1075.36 g/mol, XLogP of 15.91, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for [4-[6-(2-carbazol-9-ylcarbazol-9-yl)-2-(3-carbazol-9-ylcarbazol-9-yl)pyrimidin-4-yl]phenyl]-triphenylsilane is sourced from PubChem (CID 169282069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).