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

C88H62N4Si2 — CID 169031827

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

[3-[4-carbazol-9-yl-6-(3-phenylcarbazol-9-yl)pyrimidin-2-yl]-5-[diphenyl-(4-phenylphenyl)silyl]phenyl]-diphenyl-(4-phenylphenyl)silane (PubChem CID 169031827) has the molecular formula C88H62N4Si2 and a molecular weight of 1231.66 g/mol. Its IUPAC name is [3-[4-carbazol-9-yl-6-(3-phenylcarbazol-9-yl)pyrimidin-2-yl]-5-[diphenyl-(4-phenylphenyl)silyl]phenyl]-diphenyl-(4-phenylphenyl)silane.

Molecular Properties

• Compound Name: [3-[4-carbazol-9-yl-6-(3-phenylcarbazol-9-yl)pyrimidin-2-yl]-5-[diphenyl-(4-phenylphenyl)silyl]phenyl]-diphenyl-(4-phenylphenyl)silane
• PubChem CID: 169031827
• Molecular Formula: C88H62N4Si2
• Molecular Weight: 1231.66 g/mol
• Exact Mass: 1230.45
• IUPAC Name: [3-[4-carbazol-9-yl-6-(3-phenylcarbazol-9-yl)pyrimidin-2-yl]-5-[diphenyl-(4-phenylphenyl)silyl]phenyl]-diphenyl-(4-phenylphenyl)silane
• SMILES: c1ccc(-c2ccc([Si](c3ccccc3)(c3ccccc3)c3cc(-c4nc(-n5c6ccccc6c6ccccc65)cc(-n5c6ccccc6c6cc(-c7ccccc7)ccc65)n4)cc([Si](c4ccccc4)(c4ccccc4)c4ccc(-c5ccccc5)cc4)c3)cc2)cc1
• InChI: InChI=1S/C88H62N4Si2/c1-8-28-63(29-9-1)66-48-53-74(54-49-66)93(70-34-14-4-15-35-70,71-36-16-5-17-37-71)76-58-69(59-77(61-76)94(72-38-18-6-19-39-72,73-40-20-7-21-41-73)75-55-50-67(51-56-75)64-30-10-2-11-31-64)88-89-86(91-82-45-25-22-42-78(82)79-43-23-26-46-83(79)91)62-87(90-88)92-84-47-27-24-44-80(84)81-60-68(52-57-85(81)92)65-32-12-3-13-33-65/h1-62H
• InChIKey: CRPVEDVZIJVRBR-UHFFFAOYSA-N
• XLogP: 16.09
• TPSA: 35.64 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 14
• Heavy Atoms: 94
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1231.66
LogP ≤ 5	16.09
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-[4-carbazol-9-yl-6-(3-phenylcarbazol-9-yl)pyrimidin-2-yl]-5-[diphenyl-(4-phenylphenyl)silyl]phenyl]-diphenyl-(4-phenylphenyl)silane?

The IUPAC name of [3-[4-carbazol-9-yl-6-(3-phenylcarbazol-9-yl)pyrimidin-2-yl]-5-[diphenyl-(4-phenylphenyl)silyl]phenyl]-diphenyl-(4-phenylphenyl)silane (CID 169031827) is [3-[4-carbazol-9-yl-6-(3-phenylcarbazol-9-yl)pyrimidin-2-yl]-5-[diphenyl-(4-phenylphenyl)silyl]phenyl]-diphenyl-(4-phenylphenyl)silane.

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

The canonical SMILES for [3-[4-carbazol-9-yl-6-(3-phenylcarbazol-9-yl)pyrimidin-2-yl]-5-[diphenyl-(4-phenylphenyl)silyl]phenyl]-diphenyl-(4-phenylphenyl)silane is c1ccc(-c2ccc([Si](c3ccccc3)(c3ccccc3)c3cc(-c4nc(-n5c6ccccc6c6ccccc65)cc(-n5c6ccccc6c6cc(-c7ccccc7)ccc65)n4)cc([Si](c4ccccc4)(c4ccccc4)c4ccc(-c5ccccc5)cc4)c3)cc2)cc1.

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

The InChIKey is CRPVEDVZIJVRBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C88H62N4Si2/c1-8-28-63(29-9-1)66-48-53-74(54-49-66)93(70-34-14-4-15-35-70,71-36-16-5-17-37-71)76-58-69(59-77(61-76)94(72-38-18-6-19-39-72,73-40-20-7-21-41-73)75-55-50-67(51-56-75)64-30-10-2-11-31-64)88-89-86(91-82-45-25-22-42-78(82)79-43-23-26-46-83(79)91)62-87(90-88)92-84-47-27-24-44-80(84)81-60-68(52-57-85(81)92)65-32-12-3-13-33-65/h1-62H.

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

[3-[4-carbazol-9-yl-6-(3-phenylcarbazol-9-yl)pyrimidin-2-yl]-5-[diphenyl-(4-phenylphenyl)silyl]phenyl]-diphenyl-(4-phenylphenyl)silane has a molecular weight of 1231.66 g/mol, XLogP of 16.09, 14 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for [3-[4-carbazol-9-yl-6-(3-phenylcarbazol-9-yl)pyrimidin-2-yl]-5-[diphenyl-(4-phenylphenyl)silyl]phenyl]-diphenyl-(4-phenylphenyl)silane is sourced from PubChem (CID 169031827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).