[2-[4-[4,6-di(carbazol-9-yl)-1,3,5-triazin-2-yl]phenyl]phenyl]-triphenylsilane

C57H39N5Si — CID 168811034

About [2-[4-[4,6-di(carbazol-9-yl)-1,3,5-triazin-2-yl]phenyl]phenyl]-triphenylsilane

[2-[4-[4,6-di(carbazol-9-yl)-1,3,5-triazin-2-yl]phenyl]phenyl]-triphenylsilane (PubChem CID 168811034) has the molecular formula C57H39N5Si and a molecular weight of 822.06 g/mol. Its IUPAC name is [2-[4-[4,6-di(carbazol-9-yl)-1,3,5-triazin-2-yl]phenyl]phenyl]-triphenylsilane.

Molecular Properties

• Compound Name: [2-[4-[4,6-di(carbazol-9-yl)-1,3,5-triazin-2-yl]phenyl]phenyl]-triphenylsilane
• PubChem CID: 168811034
• Molecular Formula: C57H39N5Si
• Molecular Weight: 822.06 g/mol
• Exact Mass: 821.30
• IUPAC Name: [2-[4-[4,6-di(carbazol-9-yl)-1,3,5-triazin-2-yl]phenyl]phenyl]-triphenylsilane
• SMILES: c1ccc([Si](c2ccccc2)(c2ccccc2)c2ccccc2-c2ccc(-c3nc(-n4c5ccccc5c5ccccc54)nc(-n4c5ccccc5c5ccccc54)n3)cc2)cc1
• InChI: InChI=1S/C57H39N5Si/c1-4-20-42(21-5-1)63(43-22-6-2-7-23-43,44-24-8-3-9-25-44)54-35-19-14-26-45(54)40-36-38-41(39-37-40)55-58-56(61-50-31-15-10-27-46(50)47-28-11-16-32-51(47)61)60-57(59-55)62-52-33-17-12-29-48(52)49-30-13-18-34-53(49)62/h1-39H
• InChIKey: UUPMQAPIEHHGIP-UHFFFAOYSA-N
• XLogP: 10.78
• TPSA: 48.53 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 8
• Heavy Atoms: 63
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	822.06
LogP ≤ 5	10.78
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

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 [2-[4-[4,6-di(carbazol-9-yl)-1,3,5-triazin-2-yl]phenyl]phenyl]-triphenylsilane?

The IUPAC name of [2-[4-[4,6-di(carbazol-9-yl)-1,3,5-triazin-2-yl]phenyl]phenyl]-triphenylsilane (CID 168811034) is [2-[4-[4,6-di(carbazol-9-yl)-1,3,5-triazin-2-yl]phenyl]phenyl]-triphenylsilane.

What is the SMILES notation for [2-[4-[4,6-di(carbazol-9-yl)-1,3,5-triazin-2-yl]phenyl]phenyl]-triphenylsilane?

The canonical SMILES for [2-[4-[4,6-di(carbazol-9-yl)-1,3,5-triazin-2-yl]phenyl]phenyl]-triphenylsilane is c1ccc([Si](c2ccccc2)(c2ccccc2)c2ccccc2-c2ccc(-c3nc(-n4c5ccccc5c5ccccc54)nc(-n4c5ccccc5c5ccccc54)n3)cc2)cc1.

What is the InChIKey of [2-[4-[4,6-di(carbazol-9-yl)-1,3,5-triazin-2-yl]phenyl]phenyl]-triphenylsilane?

The InChIKey is UUPMQAPIEHHGIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C57H39N5Si/c1-4-20-42(21-5-1)63(43-22-6-2-7-23-43,44-24-8-3-9-25-44)54-35-19-14-26-45(54)40-36-38-41(39-37-40)55-58-56(61-50-31-15-10-27-46(50)47-28-11-16-32-51(47)61)60-57(59-55)62-52-33-17-12-29-48(52)49-30-13-18-34-53(49)62/h1-39H.

What are the key properties of [2-[4-[4,6-di(carbazol-9-yl)-1,3,5-triazin-2-yl]phenyl]phenyl]-triphenylsilane?

[2-[4-[4,6-di(carbazol-9-yl)-1,3,5-triazin-2-yl]phenyl]phenyl]-triphenylsilane has a molecular weight of 822.06 g/mol, XLogP of 10.78, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for [2-[4-[4,6-di(carbazol-9-yl)-1,3,5-triazin-2-yl]phenyl]phenyl]-triphenylsilane is sourced from PubChem (CID 168811034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).