triphenyl-[3-[2-[9-(9-phenylcarbazol-3-yl)carbazol-3-yl]-3-(3-triphenylsilylphenyl)phenyl]phenyl]silane

C84H60N2Si2 — CID 164756622

About triphenyl-[3-[2-[9-(9-phenylcarbazol-3-yl)carbazol-3-yl]-3-(3-triphenylsilylphenyl)phenyl]phenyl]silane

triphenyl-[3-[2-[9-(9-phenylcarbazol-3-yl)carbazol-3-yl]-3-(3-triphenylsilylphenyl)phenyl]phenyl]silane (PubChem CID 164756622) has the molecular formula C84H60N2Si2 and a molecular weight of 1153.59 g/mol. Its IUPAC name is triphenyl-[3-[2-[9-(9-phenylcarbazol-3-yl)carbazol-3-yl]-3-(3-triphenylsilylphenyl)phenyl]phenyl]silane.

Molecular Properties

• Compound Name: triphenyl-[3-[2-[9-(9-phenylcarbazol-3-yl)carbazol-3-yl]-3-(3-triphenylsilylphenyl)phenyl]phenyl]silane
• PubChem CID: 164756622
• Molecular Formula: C84H60N2Si2
• Molecular Weight: 1153.59 g/mol
• Exact Mass: 1152.43
• IUPAC Name: triphenyl-[3-[2-[9-(9-phenylcarbazol-3-yl)carbazol-3-yl]-3-(3-triphenylsilylphenyl)phenyl]phenyl]silane
• SMILES: c1ccc(-n2c3ccccc3c3cc(-n4c5ccccc5c5cc(-c6c(-c7cccc([Si](c8ccccc8)(c8ccccc8)c8ccccc8)c7)cccc6-c6cccc([Si](c7ccccc7)(c7ccccc7)c7ccccc7)c6)ccc54)ccc32)cc1
• InChI: InChI=1S/C84H60N2Si2/c1-8-31-64(32-9-1)85-80-51-24-23-48-77(80)79-60-65(54-56-83(79)85)86-81-52-25-22-47-76(81)78-59-63(53-55-82(78)86)84-74(61-29-26-45-72(57-61)87(66-33-10-2-11-34-66,67-35-12-3-13-36-67)68-37-14-4-15-38-68)49-28-50-75(84)62-30-27-46-73(58-62)88(69-39-16-5-17-40-69,70-41-18-6-19-42-70)71-43-20-7-21-44-71/h1-60H
• InChIKey: BOWLPDXTLJXEJN-UHFFFAOYSA-N
• XLogP: 15.64
• TPSA: 9.86 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 13
• Heavy Atoms: 88
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1153.59
LogP ≤ 5	15.64
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 triphenyl-[3-[2-[9-(9-phenylcarbazol-3-yl)carbazol-3-yl]-3-(3-triphenylsilylphenyl)phenyl]phenyl]silane?

The IUPAC name of triphenyl-[3-[2-[9-(9-phenylcarbazol-3-yl)carbazol-3-yl]-3-(3-triphenylsilylphenyl)phenyl]phenyl]silane (CID 164756622) is triphenyl-[3-[2-[9-(9-phenylcarbazol-3-yl)carbazol-3-yl]-3-(3-triphenylsilylphenyl)phenyl]phenyl]silane.

What is the SMILES notation for triphenyl-[3-[2-[9-(9-phenylcarbazol-3-yl)carbazol-3-yl]-3-(3-triphenylsilylphenyl)phenyl]phenyl]silane?

The canonical SMILES for triphenyl-[3-[2-[9-(9-phenylcarbazol-3-yl)carbazol-3-yl]-3-(3-triphenylsilylphenyl)phenyl]phenyl]silane is c1ccc(-n2c3ccccc3c3cc(-n4c5ccccc5c5cc(-c6c(-c7cccc([Si](c8ccccc8)(c8ccccc8)c8ccccc8)c7)cccc6-c6cccc([Si](c7ccccc7)(c7ccccc7)c7ccccc7)c6)ccc54)ccc32)cc1.

What is the InChIKey of triphenyl-[3-[2-[9-(9-phenylcarbazol-3-yl)carbazol-3-yl]-3-(3-triphenylsilylphenyl)phenyl]phenyl]silane?

The InChIKey is BOWLPDXTLJXEJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C84H60N2Si2/c1-8-31-64(32-9-1)85-80-51-24-23-48-77(80)79-60-65(54-56-83(79)85)86-81-52-25-22-47-76(81)78-59-63(53-55-82(78)86)84-74(61-29-26-45-72(57-61)87(66-33-10-2-11-34-66,67-35-12-3-13-36-67)68-37-14-4-15-38-68)49-28-50-75(84)62-30-27-46-73(58-62)88(69-39-16-5-17-40-69,70-41-18-6-19-42-70)71-43-20-7-21-44-71/h1-60H.

What are the key properties of triphenyl-[3-[2-[9-(9-phenylcarbazol-3-yl)carbazol-3-yl]-3-(3-triphenylsilylphenyl)phenyl]phenyl]silane?

triphenyl-[3-[2-[9-(9-phenylcarbazol-3-yl)carbazol-3-yl]-3-(3-triphenylsilylphenyl)phenyl]phenyl]silane has a molecular weight of 1153.59 g/mol, XLogP of 15.64, 13 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for triphenyl-[3-[2-[9-(9-phenylcarbazol-3-yl)carbazol-3-yl]-3-(3-triphenylsilylphenyl)phenyl]phenyl]silane is sourced from PubChem (CID 164756622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).