diphenyl-(3-phenylphenyl)-[4-[4-phenyl-6-(5-phenylindolo[3,2-c]carbazol-12-yl)-1,3,5-triazin-2-yl]phenyl]silane

C63H43N5Si — CID 168842667

About diphenyl-(3-phenylphenyl)-[4-[4-phenyl-6-(5-phenylindolo[3,2-c]carbazol-12-yl)-1,3,5-triazin-2-yl]phenyl]silane

diphenyl-(3-phenylphenyl)-[4-[4-phenyl-6-(5-phenylindolo[3,2-c]carbazol-12-yl)-1,3,5-triazin-2-yl]phenyl]silane (PubChem CID 168842667) has the molecular formula C63H43N5Si and a molecular weight of 898.16 g/mol. Its IUPAC name is diphenyl-(3-phenylphenyl)-[4-[4-phenyl-6-(5-phenylindolo[3,2-c]carbazol-12-yl)-1,3,5-triazin-2-yl]phenyl]silane.

Molecular Properties

• Compound Name: diphenyl-(3-phenylphenyl)-[4-[4-phenyl-6-(5-phenylindolo[3,2-c]carbazol-12-yl)-1,3,5-triazin-2-yl]phenyl]silane
• PubChem CID: 168842667
• Molecular Formula: C63H43N5Si
• Molecular Weight: 898.16 g/mol
• Exact Mass: 897.33
• IUPAC Name: diphenyl-(3-phenylphenyl)-[4-[4-phenyl-6-(5-phenylindolo[3,2-c]carbazol-12-yl)-1,3,5-triazin-2-yl]phenyl]silane
• SMILES: c1ccc(-c2cccc([Si](c3ccccc3)(c3ccccc3)c3ccc(-c4nc(-c5ccccc5)nc(-n5c6ccccc6c6ccc7c(c8ccccc8n7-c7ccccc7)c65)n4)cc3)c2)cc1
• InChI: InChI=1S/C63H43N5Si/c1-6-21-44(22-7-1)47-25-20-32-52(43-47)69(49-28-12-4-13-29-49,50-30-14-5-15-31-50)51-39-37-46(38-40-51)62-64-61(45-23-8-2-9-24-45)65-63(66-62)68-56-35-18-16-33-53(56)54-41-42-58-59(60(54)68)55-34-17-19-36-57(55)67(58)48-26-10-3-11-27-48/h1-43H
• InChIKey: WYBGTTYYKSXPDE-UHFFFAOYSA-N
• XLogP: 12.44
• TPSA: 48.53 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 9
• Heavy Atoms: 69
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	898.16
LogP ≤ 5	12.44
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 diphenyl-(3-phenylphenyl)-[4-[4-phenyl-6-(5-phenylindolo[3,2-c]carbazol-12-yl)-1,3,5-triazin-2-yl]phenyl]silane?

The IUPAC name of diphenyl-(3-phenylphenyl)-[4-[4-phenyl-6-(5-phenylindolo[3,2-c]carbazol-12-yl)-1,3,5-triazin-2-yl]phenyl]silane (CID 168842667) is diphenyl-(3-phenylphenyl)-[4-[4-phenyl-6-(5-phenylindolo[3,2-c]carbazol-12-yl)-1,3,5-triazin-2-yl]phenyl]silane.

What is the SMILES notation for diphenyl-(3-phenylphenyl)-[4-[4-phenyl-6-(5-phenylindolo[3,2-c]carbazol-12-yl)-1,3,5-triazin-2-yl]phenyl]silane?

The canonical SMILES for diphenyl-(3-phenylphenyl)-[4-[4-phenyl-6-(5-phenylindolo[3,2-c]carbazol-12-yl)-1,3,5-triazin-2-yl]phenyl]silane is c1ccc(-c2cccc([Si](c3ccccc3)(c3ccccc3)c3ccc(-c4nc(-c5ccccc5)nc(-n5c6ccccc6c6ccc7c(c8ccccc8n7-c7ccccc7)c65)n4)cc3)c2)cc1.

What is the InChIKey of diphenyl-(3-phenylphenyl)-[4-[4-phenyl-6-(5-phenylindolo[3,2-c]carbazol-12-yl)-1,3,5-triazin-2-yl]phenyl]silane?

The InChIKey is WYBGTTYYKSXPDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C63H43N5Si/c1-6-21-44(22-7-1)47-25-20-32-52(43-47)69(49-28-12-4-13-29-49,50-30-14-5-15-31-50)51-39-37-46(38-40-51)62-64-61(45-23-8-2-9-24-45)65-63(66-62)68-56-35-18-16-33-53(56)54-41-42-58-59(60(54)68)55-34-17-19-36-57(55)67(58)48-26-10-3-11-27-48/h1-43H.

What are the key properties of diphenyl-(3-phenylphenyl)-[4-[4-phenyl-6-(5-phenylindolo[3,2-c]carbazol-12-yl)-1,3,5-triazin-2-yl]phenyl]silane?

diphenyl-(3-phenylphenyl)-[4-[4-phenyl-6-(5-phenylindolo[3,2-c]carbazol-12-yl)-1,3,5-triazin-2-yl]phenyl]silane has a molecular weight of 898.16 g/mol, XLogP of 12.44, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for diphenyl-(3-phenylphenyl)-[4-[4-phenyl-6-(5-phenylindolo[3,2-c]carbazol-12-yl)-1,3,5-triazin-2-yl]phenyl]silane is sourced from PubChem (CID 168842667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).