[4-[3-(1,2,3,4,5,6,7,8-octadeuteriocarbazol-9-yl)-5-triphenylsilylcarbazol-9-yl]phenyl]-triphenylsilane

C66H48N2Si2 — CID 171457908

About [4-[3-(1,2,3,4,5,6,7,8-octadeuteriocarbazol-9-yl)-5-triphenylsilylcarbazol-9-yl]phenyl]-triphenylsilane

[4-[3-(1,2,3,4,5,6,7,8-octadeuteriocarbazol-9-yl)-5-triphenylsilylcarbazol-9-yl]phenyl]-triphenylsilane (PubChem CID 171457908) has the molecular formula C66H48N2Si2 and a molecular weight of 933.34 g/mol. Its IUPAC name is [4-[3-(1,2,3,4,5,6,7,8-octadeuteriocarbazol-9-yl)-5-triphenylsilylcarbazol-9-yl]phenyl]-triphenylsilane.

Molecular Properties

• Compound Name: [4-[3-(1,2,3,4,5,6,7,8-octadeuteriocarbazol-9-yl)-5-triphenylsilylcarbazol-9-yl]phenyl]-triphenylsilane
• PubChem CID: 171457908
• Molecular Formula: C66H48N2Si2
• Molecular Weight: 933.34 g/mol
• Exact Mass: 932.39
• IUPAC Name: [4-[3-(1,2,3,4,5,6,7,8-octadeuteriocarbazol-9-yl)-5-triphenylsilylcarbazol-9-yl]phenyl]-triphenylsilane
• SMILES: [2H]c1c([2H])c([2H])c2c(c1[2H])c1c([2H])c([2H])c([2H])c([2H])c1n2-c1ccc2c(c1)c1c([Si](c3ccccc3)(c3ccccc3)c3ccccc3)cccc1n2-c1ccc([Si](c2ccccc2)(c2ccccc2)c2ccccc2)cc1
• InChI: InChI=1S/C66H48N2Si2/c1-7-24-51(25-8-1)69(52-26-9-2-10-27-52,53-28-11-3-12-29-53)57-45-42-49(43-46-57)67-63-47-44-50(68-61-38-21-19-36-58(61)59-37-20-22-39-62(59)68)48-60(63)66-64(67)40-23-41-65(66)70(54-30-13-4-14-31-54,55-32-15-5-16-33-55)56-34-17-6-18-35-56/h1-48H/i19D,20D,21D,22D,36D,37D,38D,39D
• InChIKey: JSAOFMSRKTYMAN-UANGOCOBSA-N
• XLogP: 10.64
• TPSA: 9.86 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 10
• Heavy Atoms: 70
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	933.34
LogP ≤ 5	10.64
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

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-[3-(1,2,3,4,5,6,7,8-octadeuteriocarbazol-9-yl)-5-triphenylsilylcarbazol-9-yl]phenyl]-triphenylsilane?

The IUPAC name of [4-[3-(1,2,3,4,5,6,7,8-octadeuteriocarbazol-9-yl)-5-triphenylsilylcarbazol-9-yl]phenyl]-triphenylsilane (CID 171457908) is [4-[3-(1,2,3,4,5,6,7,8-octadeuteriocarbazol-9-yl)-5-triphenylsilylcarbazol-9-yl]phenyl]-triphenylsilane.

What is the SMILES notation for [4-[3-(1,2,3,4,5,6,7,8-octadeuteriocarbazol-9-yl)-5-triphenylsilylcarbazol-9-yl]phenyl]-triphenylsilane?

The canonical SMILES for [4-[3-(1,2,3,4,5,6,7,8-octadeuteriocarbazol-9-yl)-5-triphenylsilylcarbazol-9-yl]phenyl]-triphenylsilane is [2H]c1c([2H])c([2H])c2c(c1[2H])c1c([2H])c([2H])c([2H])c([2H])c1n2-c1ccc2c(c1)c1c([Si](c3ccccc3)(c3ccccc3)c3ccccc3)cccc1n2-c1ccc([Si](c2ccccc2)(c2ccccc2)c2ccccc2)cc1.

What is the InChIKey of [4-[3-(1,2,3,4,5,6,7,8-octadeuteriocarbazol-9-yl)-5-triphenylsilylcarbazol-9-yl]phenyl]-triphenylsilane?

The InChIKey is JSAOFMSRKTYMAN-UANGOCOBSA-N. The full InChI is InChI=1S/C66H48N2Si2/c1-7-24-51(25-8-1)69(52-26-9-2-10-27-52,53-28-11-3-12-29-53)57-45-42-49(43-46-57)67-63-47-44-50(68-61-38-21-19-36-58(61)59-37-20-22-39-62(59)68)48-60(63)66-64(67)40-23-41-65(66)70(54-30-13-4-14-31-54,55-32-15-5-16-33-55)56-34-17-6-18-35-56/h1-48H/i19D,20D,21D,22D,36D,37D,38D,39D.

What are the key properties of [4-[3-(1,2,3,4,5,6,7,8-octadeuteriocarbazol-9-yl)-5-triphenylsilylcarbazol-9-yl]phenyl]-triphenylsilane?

[4-[3-(1,2,3,4,5,6,7,8-octadeuteriocarbazol-9-yl)-5-triphenylsilylcarbazol-9-yl]phenyl]-triphenylsilane has a molecular weight of 933.34 g/mol, XLogP of 10.64, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for [4-[3-(1,2,3,4,5,6,7,8-octadeuteriocarbazol-9-yl)-5-triphenylsilylcarbazol-9-yl]phenyl]-triphenylsilane is sourced from PubChem (CID 171457908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).