[3-[3-carbazol-9-yl-5-[2-(3,6-diphenylcarbazol-9-yl)carbazol-9-yl]phenyl]phenyl]-(3,5-diphenylphenyl)-diphenylsilane

C90H61N3Si — CID 176784938

About [3-[3-carbazol-9-yl-5-[2-(3,6-diphenylcarbazol-9-yl)carbazol-9-yl]phenyl]phenyl]-(3,5-diphenylphenyl)-diphenylsilane

[3-[3-carbazol-9-yl-5-[2-(3,6-diphenylcarbazol-9-yl)carbazol-9-yl]phenyl]phenyl]-(3,5-diphenylphenyl)-diphenylsilane (PubChem CID 176784938) has the molecular formula C90H61N3Si and a molecular weight of 1212.59 g/mol. Its IUPAC name is [3-[3-carbazol-9-yl-5-[2-(3,6-diphenylcarbazol-9-yl)carbazol-9-yl]phenyl]phenyl]-(3,5-diphenylphenyl)-diphenylsilane.

Molecular Properties

• Compound Name: [3-[3-carbazol-9-yl-5-[2-(3,6-diphenylcarbazol-9-yl)carbazol-9-yl]phenyl]phenyl]-(3,5-diphenylphenyl)-diphenylsilane
• PubChem CID: 176784938
• Molecular Formula: C90H61N3Si
• Molecular Weight: 1212.59 g/mol
• Exact Mass: 1211.46
• IUPAC Name: [3-[3-carbazol-9-yl-5-[2-(3,6-diphenylcarbazol-9-yl)carbazol-9-yl]phenyl]phenyl]-(3,5-diphenylphenyl)-diphenylsilane
• SMILES: c1ccc(-c2cc(-c3ccccc3)cc([Si](c3ccccc3)(c3ccccc3)c3cccc(-c4cc(-n5c6ccccc6c6ccccc65)cc(-n5c6ccccc6c6ccc(-n7c8ccc(-c9ccccc9)cc8c8cc(-c9ccccc9)ccc87)cc65)c4)c3)c2)cc1
• InChI: InChI=1S/C90H61N3Si/c1-7-26-62(27-8-1)67-46-50-88-83(58-67)84-59-68(63-28-9-2-10-29-63)47-51-89(84)91(88)72-48-49-82-81-42-21-24-45-87(81)93(90(82)61-72)74-54-71(53-73(60-74)92-85-43-22-19-40-79(85)80-41-20-23-44-86(80)92)66-34-25-39-77(55-66)94(75-35-15-5-16-36-75,76-37-17-6-18-38-76)78-56-69(64-30-11-3-12-31-64)52-70(57-78)65-32-13-4-14-33-65/h1-61H
• InChIKey: XEJBOBYWOFMMGW-UHFFFAOYSA-N
• XLogP: 20.69
• TPSA: 14.79 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 12
• Heavy Atoms: 94
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1212.59
LogP ≤ 5	20.69
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

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-[3-carbazol-9-yl-5-[2-(3,6-diphenylcarbazol-9-yl)carbazol-9-yl]phenyl]phenyl]-(3,5-diphenylphenyl)-diphenylsilane?

The IUPAC name of [3-[3-carbazol-9-yl-5-[2-(3,6-diphenylcarbazol-9-yl)carbazol-9-yl]phenyl]phenyl]-(3,5-diphenylphenyl)-diphenylsilane (CID 176784938) is [3-[3-carbazol-9-yl-5-[2-(3,6-diphenylcarbazol-9-yl)carbazol-9-yl]phenyl]phenyl]-(3,5-diphenylphenyl)-diphenylsilane.

What is the SMILES notation for [3-[3-carbazol-9-yl-5-[2-(3,6-diphenylcarbazol-9-yl)carbazol-9-yl]phenyl]phenyl]-(3,5-diphenylphenyl)-diphenylsilane?

The canonical SMILES for [3-[3-carbazol-9-yl-5-[2-(3,6-diphenylcarbazol-9-yl)carbazol-9-yl]phenyl]phenyl]-(3,5-diphenylphenyl)-diphenylsilane is c1ccc(-c2cc(-c3ccccc3)cc([Si](c3ccccc3)(c3ccccc3)c3cccc(-c4cc(-n5c6ccccc6c6ccccc65)cc(-n5c6ccccc6c6ccc(-n7c8ccc(-c9ccccc9)cc8c8cc(-c9ccccc9)ccc87)cc65)c4)c3)c2)cc1.

What is the InChIKey of [3-[3-carbazol-9-yl-5-[2-(3,6-diphenylcarbazol-9-yl)carbazol-9-yl]phenyl]phenyl]-(3,5-diphenylphenyl)-diphenylsilane?

The InChIKey is XEJBOBYWOFMMGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C90H61N3Si/c1-7-26-62(27-8-1)67-46-50-88-83(58-67)84-59-68(63-28-9-2-10-29-63)47-51-89(84)91(88)72-48-49-82-81-42-21-24-45-87(81)93(90(82)61-72)74-54-71(53-73(60-74)92-85-43-22-19-40-79(85)80-41-20-23-44-86(80)92)66-34-25-39-77(55-66)94(75-35-15-5-16-36-75,76-37-17-6-18-38-76)78-56-69(64-30-11-3-12-31-64)52-70(57-78)65-32-13-4-14-33-65/h1-61H.

What are the key properties of [3-[3-carbazol-9-yl-5-[2-(3,6-diphenylcarbazol-9-yl)carbazol-9-yl]phenyl]phenyl]-(3,5-diphenylphenyl)-diphenylsilane?

[3-[3-carbazol-9-yl-5-[2-(3,6-diphenylcarbazol-9-yl)carbazol-9-yl]phenyl]phenyl]-(3,5-diphenylphenyl)-diphenylsilane has a molecular weight of 1212.59 g/mol, XLogP of 20.69, 12 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for [3-[3-carbazol-9-yl-5-[2-(3,6-diphenylcarbazol-9-yl)carbazol-9-yl]phenyl]phenyl]-(3,5-diphenylphenyl)-diphenylsilane is sourced from PubChem (CID 176784938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).