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

C51H36N4Si — CID 158834822

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

[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-diphenyl-(9-phenylcarbazol-1-yl)silane (PubChem CID 158834822) has the molecular formula C51H36N4Si and a molecular weight of 732.96 g/mol. Its IUPAC name is [4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-diphenyl-(9-phenylcarbazol-1-yl)silane.

Molecular Properties

• Compound Name: [4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-diphenyl-(9-phenylcarbazol-1-yl)silane
• PubChem CID: 158834822
• Molecular Formula: C51H36N4Si
• Molecular Weight: 732.96 g/mol
• Exact Mass: 732.27
• IUPAC Name: [4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-diphenyl-(9-phenylcarbazol-1-yl)silane
• SMILES: c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc([Si](c4ccccc4)(c4ccccc4)c4cccc5c6ccccc6n(-c6ccccc6)c45)cc3)n2)cc1
• InChI: InChI=1S/C51H36N4Si/c1-6-19-37(20-7-1)49-52-50(38-21-8-2-9-22-38)54-51(53-49)39-33-35-43(36-34-39)56(41-25-12-4-13-26-41,42-27-14-5-15-28-42)47-32-18-30-45-44-29-16-17-31-46(44)55(48(45)47)40-23-10-3-11-24-40/h1-36H
• InChIKey: MQPURJNNDTZHJF-UHFFFAOYSA-N
• XLogP: 9.35
• TPSA: 43.60 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 8
• Heavy Atoms: 56
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	732.96
LogP ≤ 5	9.35
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 [4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-diphenyl-(9-phenylcarbazol-1-yl)silane?

The IUPAC name of [4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-diphenyl-(9-phenylcarbazol-1-yl)silane (CID 158834822) is [4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-diphenyl-(9-phenylcarbazol-1-yl)silane.

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

The canonical SMILES for [4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-diphenyl-(9-phenylcarbazol-1-yl)silane is c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc([Si](c4ccccc4)(c4ccccc4)c4cccc5c6ccccc6n(-c6ccccc6)c45)cc3)n2)cc1.

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

The InChIKey is MQPURJNNDTZHJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H36N4Si/c1-6-19-37(20-7-1)49-52-50(38-21-8-2-9-22-38)54-51(53-49)39-33-35-43(36-34-39)56(41-25-12-4-13-26-41,42-27-14-5-15-28-42)47-32-18-30-45-44-29-16-17-31-46(44)55(48(45)47)40-23-10-3-11-24-40/h1-36H.

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

[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-diphenyl-(9-phenylcarbazol-1-yl)silane has a molecular weight of 732.96 g/mol, XLogP of 9.35, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for [4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-diphenyl-(9-phenylcarbazol-1-yl)silane is sourced from PubChem (CID 158834822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).