tris(3-phenylphenyl)-[3-[4-phenyl-6-(3-phenylcarbazol-9-yl)-1,3,5-triazin-2-yl]phenyl]silane

C69H48N4Si — CID 168836420

About tris(3-phenylphenyl)-[3-[4-phenyl-6-(3-phenylcarbazol-9-yl)-1,3,5-triazin-2-yl]phenyl]silane

tris(3-phenylphenyl)-[3-[4-phenyl-6-(3-phenylcarbazol-9-yl)-1,3,5-triazin-2-yl]phenyl]silane (PubChem CID 168836420) has the molecular formula C69H48N4Si and a molecular weight of 961.26 g/mol. Its IUPAC name is tris(3-phenylphenyl)-[3-[4-phenyl-6-(3-phenylcarbazol-9-yl)-1,3,5-triazin-2-yl]phenyl]silane.

Molecular Properties

• Compound Name: tris(3-phenylphenyl)-[3-[4-phenyl-6-(3-phenylcarbazol-9-yl)-1,3,5-triazin-2-yl]phenyl]silane
• PubChem CID: 168836420
• Molecular Formula: C69H48N4Si
• Molecular Weight: 961.26 g/mol
• Exact Mass: 960.36
• IUPAC Name: tris(3-phenylphenyl)-[3-[4-phenyl-6-(3-phenylcarbazol-9-yl)-1,3,5-triazin-2-yl]phenyl]silane
• SMILES: c1ccc(-c2cccc([Si](c3cccc(-c4ccccc4)c3)(c3cccc(-c4ccccc4)c3)c3cccc(-c4nc(-c5ccccc5)nc(-n5c6ccccc6c6cc(-c7ccccc7)ccc65)n4)c3)c2)cc1
• InChI: InChI=1S/C69H48N4Si/c1-6-22-49(23-7-1)54-32-18-36-59(44-54)74(60-37-19-33-55(45-60)50-24-8-2-9-25-50,61-38-20-34-56(46-61)51-26-10-3-11-27-51)62-39-21-35-58(47-62)68-70-67(53-30-14-5-15-31-53)71-69(72-68)73-65-41-17-16-40-63(65)64-48-57(42-43-66(64)73)52-28-12-4-13-29-52/h1-48H
• InChIKey: AURCKXFMBCGSSV-UHFFFAOYSA-N
• XLogP: 14.35
• TPSA: 43.60 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 11
• Heavy Atoms: 74
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	961.26
LogP ≤ 5	14.35
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

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 tris(3-phenylphenyl)-[3-[4-phenyl-6-(3-phenylcarbazol-9-yl)-1,3,5-triazin-2-yl]phenyl]silane?

The IUPAC name of tris(3-phenylphenyl)-[3-[4-phenyl-6-(3-phenylcarbazol-9-yl)-1,3,5-triazin-2-yl]phenyl]silane (CID 168836420) is tris(3-phenylphenyl)-[3-[4-phenyl-6-(3-phenylcarbazol-9-yl)-1,3,5-triazin-2-yl]phenyl]silane.

What is the SMILES notation for tris(3-phenylphenyl)-[3-[4-phenyl-6-(3-phenylcarbazol-9-yl)-1,3,5-triazin-2-yl]phenyl]silane?

The canonical SMILES for tris(3-phenylphenyl)-[3-[4-phenyl-6-(3-phenylcarbazol-9-yl)-1,3,5-triazin-2-yl]phenyl]silane is c1ccc(-c2cccc([Si](c3cccc(-c4ccccc4)c3)(c3cccc(-c4ccccc4)c3)c3cccc(-c4nc(-c5ccccc5)nc(-n5c6ccccc6c6cc(-c7ccccc7)ccc65)n4)c3)c2)cc1.

What is the InChIKey of tris(3-phenylphenyl)-[3-[4-phenyl-6-(3-phenylcarbazol-9-yl)-1,3,5-triazin-2-yl]phenyl]silane?

The InChIKey is AURCKXFMBCGSSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C69H48N4Si/c1-6-22-49(23-7-1)54-32-18-36-59(44-54)74(60-37-19-33-55(45-60)50-24-8-2-9-25-50,61-38-20-34-56(46-61)51-26-10-3-11-27-51)62-39-21-35-58(47-62)68-70-67(53-30-14-5-15-31-53)71-69(72-68)73-65-41-17-16-40-63(65)64-48-57(42-43-66(64)73)52-28-12-4-13-29-52/h1-48H.

What are the key properties of tris(3-phenylphenyl)-[3-[4-phenyl-6-(3-phenylcarbazol-9-yl)-1,3,5-triazin-2-yl]phenyl]silane?

tris(3-phenylphenyl)-[3-[4-phenyl-6-(3-phenylcarbazol-9-yl)-1,3,5-triazin-2-yl]phenyl]silane has a molecular weight of 961.26 g/mol, XLogP of 14.35, 11 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for tris(3-phenylphenyl)-[3-[4-phenyl-6-(3-phenylcarbazol-9-yl)-1,3,5-triazin-2-yl]phenyl]silane is sourced from PubChem (CID 168836420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).