[3-[2,6-di(carbazol-9-yl)pyrimidin-4-yl]-5-[diphenyl-(3-phenylphenyl)silyl]phenyl]-diphenyl-(3-phenylphenyl)silane

C82H58N4Si2 — CID 169031891

About [3-[2,6-di(carbazol-9-yl)pyrimidin-4-yl]-5-[diphenyl-(3-phenylphenyl)silyl]phenyl]-diphenyl-(3-phenylphenyl)silane

[3-[2,6-di(carbazol-9-yl)pyrimidin-4-yl]-5-[diphenyl-(3-phenylphenyl)silyl]phenyl]-diphenyl-(3-phenylphenyl)silane (PubChem CID 169031891) has the molecular formula C82H58N4Si2 and a molecular weight of 1155.57 g/mol. Its IUPAC name is [3-[2,6-di(carbazol-9-yl)pyrimidin-4-yl]-5-[diphenyl-(3-phenylphenyl)silyl]phenyl]-diphenyl-(3-phenylphenyl)silane.

Molecular Properties

• Compound Name: [3-[2,6-di(carbazol-9-yl)pyrimidin-4-yl]-5-[diphenyl-(3-phenylphenyl)silyl]phenyl]-diphenyl-(3-phenylphenyl)silane
• PubChem CID: 169031891
• Molecular Formula: C82H58N4Si2
• Molecular Weight: 1155.57 g/mol
• Exact Mass: 1154.42
• IUPAC Name: [3-[2,6-di(carbazol-9-yl)pyrimidin-4-yl]-5-[diphenyl-(3-phenylphenyl)silyl]phenyl]-diphenyl-(3-phenylphenyl)silane
• SMILES: c1ccc(-c2cccc([Si](c3ccccc3)(c3ccccc3)c3cc(-c4cc(-n5c6ccccc6c6ccccc65)nc(-n5c6ccccc6c6ccccc65)n4)cc([Si](c4ccccc4)(c4ccccc4)c4cccc(-c5ccccc5)c4)c3)c2)cc1
• InChI: InChI=1S/C82H58N4Si2/c1-7-29-59(30-8-1)61-33-27-43-68(53-61)87(64-35-11-3-12-36-64,65-37-13-4-14-38-65)70-55-63(56-71(57-70)88(66-39-15-5-16-40-66,67-41-17-6-18-42-67)69-44-28-34-62(54-69)60-31-9-2-10-32-60)76-58-81(85-77-49-23-19-45-72(77)73-46-20-24-50-78(73)85)84-82(83-76)86-79-51-25-21-47-74(79)75-48-22-26-52-80(75)86/h1-58H
• InChIKey: OJYVTDQZUXCXGR-UHFFFAOYSA-N
• XLogP: 14.43
• TPSA: 35.64 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 13
• Heavy Atoms: 88
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1155.57
LogP ≤ 5	14.43
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

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-[2,6-di(carbazol-9-yl)pyrimidin-4-yl]-5-[diphenyl-(3-phenylphenyl)silyl]phenyl]-diphenyl-(3-phenylphenyl)silane?

The IUPAC name of [3-[2,6-di(carbazol-9-yl)pyrimidin-4-yl]-5-[diphenyl-(3-phenylphenyl)silyl]phenyl]-diphenyl-(3-phenylphenyl)silane (CID 169031891) is [3-[2,6-di(carbazol-9-yl)pyrimidin-4-yl]-5-[diphenyl-(3-phenylphenyl)silyl]phenyl]-diphenyl-(3-phenylphenyl)silane.

What is the SMILES notation for [3-[2,6-di(carbazol-9-yl)pyrimidin-4-yl]-5-[diphenyl-(3-phenylphenyl)silyl]phenyl]-diphenyl-(3-phenylphenyl)silane?

The canonical SMILES for [3-[2,6-di(carbazol-9-yl)pyrimidin-4-yl]-5-[diphenyl-(3-phenylphenyl)silyl]phenyl]-diphenyl-(3-phenylphenyl)silane is c1ccc(-c2cccc([Si](c3ccccc3)(c3ccccc3)c3cc(-c4cc(-n5c6ccccc6c6ccccc65)nc(-n5c6ccccc6c6ccccc65)n4)cc([Si](c4ccccc4)(c4ccccc4)c4cccc(-c5ccccc5)c4)c3)c2)cc1.

What is the InChIKey of [3-[2,6-di(carbazol-9-yl)pyrimidin-4-yl]-5-[diphenyl-(3-phenylphenyl)silyl]phenyl]-diphenyl-(3-phenylphenyl)silane?

The InChIKey is OJYVTDQZUXCXGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C82H58N4Si2/c1-7-29-59(30-8-1)61-33-27-43-68(53-61)87(64-35-11-3-12-36-64,65-37-13-4-14-38-65)70-55-63(56-71(57-70)88(66-39-15-5-16-40-66,67-41-17-6-18-42-67)69-44-28-34-62(54-69)60-31-9-2-10-32-60)76-58-81(85-77-49-23-19-45-72(77)73-46-20-24-50-78(73)85)84-82(83-76)86-79-51-25-21-47-74(79)75-48-22-26-52-80(75)86/h1-58H.

What are the key properties of [3-[2,6-di(carbazol-9-yl)pyrimidin-4-yl]-5-[diphenyl-(3-phenylphenyl)silyl]phenyl]-diphenyl-(3-phenylphenyl)silane?

[3-[2,6-di(carbazol-9-yl)pyrimidin-4-yl]-5-[diphenyl-(3-phenylphenyl)silyl]phenyl]-diphenyl-(3-phenylphenyl)silane has a molecular weight of 1155.57 g/mol, XLogP of 14.43, 13 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for [3-[2,6-di(carbazol-9-yl)pyrimidin-4-yl]-5-[diphenyl-(3-phenylphenyl)silyl]phenyl]-diphenyl-(3-phenylphenyl)silane is sourced from PubChem (CID 169031891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).