[4-[3-[9-(2,6-diphenylphenyl)carbazol-3-yl]carbazol-9-yl]-3,5-diphenylphenyl]-triphenylsilane

C78H54N2Si — CID 168762506

About [4-[3-[9-(2,6-diphenylphenyl)carbazol-3-yl]carbazol-9-yl]-3,5-diphenylphenyl]-triphenylsilane

[4-[3-[9-(2,6-diphenylphenyl)carbazol-3-yl]carbazol-9-yl]-3,5-diphenylphenyl]-triphenylsilane (PubChem CID 168762506) has the molecular formula C78H54N2Si and a molecular weight of 1047.39 g/mol. Its IUPAC name is [4-[3-[9-(2,6-diphenylphenyl)carbazol-3-yl]carbazol-9-yl]-3,5-diphenylphenyl]-triphenylsilane.

Molecular Properties

• Compound Name: [4-[3-[9-(2,6-diphenylphenyl)carbazol-3-yl]carbazol-9-yl]-3,5-diphenylphenyl]-triphenylsilane
• PubChem CID: 168762506
• Molecular Formula: C78H54N2Si
• Molecular Weight: 1047.39 g/mol
• Exact Mass: 1046.41
• IUPAC Name: [4-[3-[9-(2,6-diphenylphenyl)carbazol-3-yl]carbazol-9-yl]-3,5-diphenylphenyl]-triphenylsilane
• SMILES: c1ccc(-c2cccc(-c3ccccc3)c2-n2c3ccccc3c3cc(-c4ccc5c(c4)c4ccccc4n5-c4c(-c5ccccc5)cc([Si](c5ccccc5)(c5ccccc5)c5ccccc5)cc4-c4ccccc4)ccc32)cc1
• InChI: InChI=1S/C78H54N2Si/c1-8-27-55(28-9-1)65-43-26-44-66(56-29-10-2-11-30-56)77(65)79-73-45-24-22-41-67(73)71-51-59(47-49-75(71)79)60-48-50-76-72(52-60)68-42-23-25-46-74(68)80(76)78-69(57-31-12-3-13-32-57)53-64(54-70(78)58-33-14-4-15-34-58)81(61-35-16-5-17-36-61,62-37-18-6-19-38-62)63-39-20-7-21-40-63/h1-54H
• InChIKey: DDOBRZRYYONRDV-UHFFFAOYSA-N
• XLogP: 17.59
• TPSA: 9.86 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 11
• Heavy Atoms: 81
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1047.39
LogP ≤ 5	17.59
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-[9-(2,6-diphenylphenyl)carbazol-3-yl]carbazol-9-yl]-3,5-diphenylphenyl]-triphenylsilane?

The IUPAC name of [4-[3-[9-(2,6-diphenylphenyl)carbazol-3-yl]carbazol-9-yl]-3,5-diphenylphenyl]-triphenylsilane (CID 168762506) is [4-[3-[9-(2,6-diphenylphenyl)carbazol-3-yl]carbazol-9-yl]-3,5-diphenylphenyl]-triphenylsilane.

What is the SMILES notation for [4-[3-[9-(2,6-diphenylphenyl)carbazol-3-yl]carbazol-9-yl]-3,5-diphenylphenyl]-triphenylsilane?

The canonical SMILES for [4-[3-[9-(2,6-diphenylphenyl)carbazol-3-yl]carbazol-9-yl]-3,5-diphenylphenyl]-triphenylsilane is c1ccc(-c2cccc(-c3ccccc3)c2-n2c3ccccc3c3cc(-c4ccc5c(c4)c4ccccc4n5-c4c(-c5ccccc5)cc([Si](c5ccccc5)(c5ccccc5)c5ccccc5)cc4-c4ccccc4)ccc32)cc1.

What is the InChIKey of [4-[3-[9-(2,6-diphenylphenyl)carbazol-3-yl]carbazol-9-yl]-3,5-diphenylphenyl]-triphenylsilane?

The InChIKey is DDOBRZRYYONRDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C78H54N2Si/c1-8-27-55(28-9-1)65-43-26-44-66(56-29-10-2-11-30-56)77(65)79-73-45-24-22-41-67(73)71-51-59(47-49-75(71)79)60-48-50-76-72(52-60)68-42-23-25-46-74(68)80(76)78-69(57-31-12-3-13-32-57)53-64(54-70(78)58-33-14-4-15-34-58)81(61-35-16-5-17-36-61,62-37-18-6-19-38-62)63-39-20-7-21-40-63/h1-54H.

What are the key properties of [4-[3-[9-(2,6-diphenylphenyl)carbazol-3-yl]carbazol-9-yl]-3,5-diphenylphenyl]-triphenylsilane?

[4-[3-[9-(2,6-diphenylphenyl)carbazol-3-yl]carbazol-9-yl]-3,5-diphenylphenyl]-triphenylsilane has a molecular weight of 1047.39 g/mol, XLogP of 17.59, 11 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for [4-[3-[9-(2,6-diphenylphenyl)carbazol-3-yl]carbazol-9-yl]-3,5-diphenylphenyl]-triphenylsilane is sourced from PubChem (CID 168762506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).