triphenyl-[3-[3-[1-(3-triphenylsilylcarbazol-9-yl)carbazol-9-yl]carbazol-9-yl]phenyl]silane

C78H55N3Si2 — CID 166588869

About triphenyl-[3-[3-[1-(3-triphenylsilylcarbazol-9-yl)carbazol-9-yl]carbazol-9-yl]phenyl]silane

triphenyl-[3-[3-[1-(3-triphenylsilylcarbazol-9-yl)carbazol-9-yl]carbazol-9-yl]phenyl]silane (PubChem CID 166588869) has the molecular formula C78H55N3Si2 and a molecular weight of 1090.49 g/mol. Its IUPAC name is triphenyl-[3-[3-[1-(3-triphenylsilylcarbazol-9-yl)carbazol-9-yl]carbazol-9-yl]phenyl]silane.

Molecular Properties

• Compound Name: triphenyl-[3-[3-[1-(3-triphenylsilylcarbazol-9-yl)carbazol-9-yl]carbazol-9-yl]phenyl]silane
• PubChem CID: 166588869
• Molecular Formula: C78H55N3Si2
• Molecular Weight: 1090.49 g/mol
• Exact Mass: 1089.39
• IUPAC Name: triphenyl-[3-[3-[1-(3-triphenylsilylcarbazol-9-yl)carbazol-9-yl]carbazol-9-yl]phenyl]silane
• SMILES: c1ccc([Si](c2ccccc2)(c2ccccc2)c2cccc(-n3c4ccccc4c4cc(-n5c6ccccc6c6cccc(-n7c8ccccc8c8cc([Si](c9ccccc9)(c9ccccc9)c9ccccc9)ccc87)c65)ccc43)c2)cc1
• InChI: InChI=1S/C78H55N3Si2/c1-7-28-58(29-8-1)82(59-30-9-2-10-31-59,60-32-11-3-12-33-60)64-40-25-27-56(53-64)79-72-45-22-20-42-67(72)70-54-57(49-51-75(70)79)80-73-46-23-19-41-66(73)69-44-26-48-77(78(69)80)81-74-47-24-21-43-68(74)71-55-65(50-52-76(71)81)83(61-34-13-4-14-35-61,62-36-15-5-16-37-62)63-38-17-6-18-39-63/h1-55H
• InChIKey: PBOMEDCRGBQZFJ-UHFFFAOYSA-N
• XLogP: 13.73
• TPSA: 14.79 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 11
• Heavy Atoms: 83
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1090.49
LogP ≤ 5	13.73
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 triphenyl-[3-[3-[1-(3-triphenylsilylcarbazol-9-yl)carbazol-9-yl]carbazol-9-yl]phenyl]silane?

The IUPAC name of triphenyl-[3-[3-[1-(3-triphenylsilylcarbazol-9-yl)carbazol-9-yl]carbazol-9-yl]phenyl]silane (CID 166588869) is triphenyl-[3-[3-[1-(3-triphenylsilylcarbazol-9-yl)carbazol-9-yl]carbazol-9-yl]phenyl]silane.

What is the SMILES notation for triphenyl-[3-[3-[1-(3-triphenylsilylcarbazol-9-yl)carbazol-9-yl]carbazol-9-yl]phenyl]silane?

The canonical SMILES for triphenyl-[3-[3-[1-(3-triphenylsilylcarbazol-9-yl)carbazol-9-yl]carbazol-9-yl]phenyl]silane is c1ccc([Si](c2ccccc2)(c2ccccc2)c2cccc(-n3c4ccccc4c4cc(-n5c6ccccc6c6cccc(-n7c8ccccc8c8cc([Si](c9ccccc9)(c9ccccc9)c9ccccc9)ccc87)c65)ccc43)c2)cc1.

What is the InChIKey of triphenyl-[3-[3-[1-(3-triphenylsilylcarbazol-9-yl)carbazol-9-yl]carbazol-9-yl]phenyl]silane?

The InChIKey is PBOMEDCRGBQZFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C78H55N3Si2/c1-7-28-58(29-8-1)82(59-30-9-2-10-31-59,60-32-11-3-12-33-60)64-40-25-27-56(53-64)79-72-45-22-20-42-67(72)70-54-57(49-51-75(70)79)80-73-46-23-19-41-66(73)69-44-26-48-77(78(69)80)81-74-47-24-21-43-68(74)71-55-65(50-52-76(71)81)83(61-34-13-4-14-35-61,62-36-15-5-16-37-62)63-38-17-6-18-39-63/h1-55H.

What are the key properties of triphenyl-[3-[3-[1-(3-triphenylsilylcarbazol-9-yl)carbazol-9-yl]carbazol-9-yl]phenyl]silane?

triphenyl-[3-[3-[1-(3-triphenylsilylcarbazol-9-yl)carbazol-9-yl]carbazol-9-yl]phenyl]silane has a molecular weight of 1090.49 g/mol, XLogP of 13.73, 11 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for triphenyl-[3-[3-[1-(3-triphenylsilylcarbazol-9-yl)carbazol-9-yl]carbazol-9-yl]phenyl]silane is sourced from PubChem (CID 166588869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).