(4-carbazol-9-ylphenyl)-[4-[4,6-di(carbazol-9-yl)pyrimidin-2-yl]phenyl]-diphenylsilane

C64H43N5Si — CID 174090365

About (4-carbazol-9-ylphenyl)-[4-[4,6-di(carbazol-9-yl)pyrimidin-2-yl]phenyl]-diphenylsilane

(4-carbazol-9-ylphenyl)-[4-[4,6-di(carbazol-9-yl)pyrimidin-2-yl]phenyl]-diphenylsilane (PubChem CID 174090365) has the molecular formula C64H43N5Si and a molecular weight of 910.17 g/mol. Its IUPAC name is (4-carbazol-9-ylphenyl)-[4-[4,6-di(carbazol-9-yl)pyrimidin-2-yl]phenyl]-diphenylsilane.

Molecular Properties

• Compound Name: (4-carbazol-9-ylphenyl)-[4-[4,6-di(carbazol-9-yl)pyrimidin-2-yl]phenyl]-diphenylsilane
• PubChem CID: 174090365
• Molecular Formula: C64H43N5Si
• Molecular Weight: 910.17 g/mol
• Exact Mass: 909.33
• IUPAC Name: (4-carbazol-9-ylphenyl)-[4-[4,6-di(carbazol-9-yl)pyrimidin-2-yl]phenyl]-diphenylsilane
• SMILES: c1ccc([Si](c2ccccc2)(c2ccc(-c3nc(-n4c5ccccc5c5ccccc54)cc(-n4c5ccccc5c5ccccc54)n3)cc2)c2ccc(-n3c4ccccc4c4ccccc43)cc2)cc1
• InChI: InChI=1S/C64H43N5Si/c1-3-19-46(20-4-1)70(47-21-5-2-6-22-47,49-41-37-45(38-42-49)67-56-29-13-7-23-50(56)51-24-8-14-30-57(51)67)48-39-35-44(36-40-48)64-65-62(68-58-31-15-9-25-52(58)53-26-10-16-32-59(53)68)43-63(66-64)69-60-33-17-11-27-54(60)55-28-12-18-34-61(55)69/h1-43H
• InChIKey: PLOUZSUOHNLFEX-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-carbazol-9-ylphenyl)-[4-[4,6-di(carbazol-9-yl)pyrimidin-2-yl]phenyl]-diphenylsilane?

The IUPAC name of (4-carbazol-9-ylphenyl)-[4-[4,6-di(carbazol-9-yl)pyrimidin-2-yl]phenyl]-diphenylsilane (CID 174090365) is (4-carbazol-9-ylphenyl)-[4-[4,6-di(carbazol-9-yl)pyrimidin-2-yl]phenyl]-diphenylsilane.

What is the SMILES notation for (4-carbazol-9-ylphenyl)-[4-[4,6-di(carbazol-9-yl)pyrimidin-2-yl]phenyl]-diphenylsilane?

The canonical SMILES for (4-carbazol-9-ylphenyl)-[4-[4,6-di(carbazol-9-yl)pyrimidin-2-yl]phenyl]-diphenylsilane is c1ccc([Si](c2ccccc2)(c2ccc(-c3nc(-n4c5ccccc5c5ccccc54)cc(-n4c5ccccc5c5ccccc54)n3)cc2)c2ccc(-n3c4ccccc4c4ccccc43)cc2)cc1.

What is the InChIKey of (4-carbazol-9-ylphenyl)-[4-[4,6-di(carbazol-9-yl)pyrimidin-2-yl]phenyl]-diphenylsilane?

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

What are the key properties of (4-carbazol-9-ylphenyl)-[4-[4,6-di(carbazol-9-yl)pyrimidin-2-yl]phenyl]-diphenylsilane?

(4-carbazol-9-ylphenyl)-[4-[4,6-di(carbazol-9-yl)pyrimidin-2-yl]phenyl]-diphenylsilane 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-carbazol-9-ylphenyl)-[4-[4,6-di(carbazol-9-yl)pyrimidin-2-yl]phenyl]-diphenylsilane is sourced from PubChem (CID 174090365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).