triphenyl-[4-(4-phenyl-6-pyrido[1,2-a]indol-10-yl-1,3,5-triazin-2-yl)phenyl]silane

C45H32N4Si — CID 168744658

About triphenyl-[4-(4-phenyl-6-pyrido[1,2-a]indol-10-yl-1,3,5-triazin-2-yl)phenyl]silane

triphenyl-[4-(4-phenyl-6-pyrido[1,2-a]indol-10-yl-1,3,5-triazin-2-yl)phenyl]silane (PubChem CID 168744658) has the molecular formula C45H32N4Si and a molecular weight of 656.87 g/mol. Its IUPAC name is triphenyl-[4-(4-phenyl-6-pyrido[1,2-a]indol-10-yl-1,3,5-triazin-2-yl)phenyl]silane.

Molecular Properties

• Compound Name: triphenyl-[4-(4-phenyl-6-pyrido[1,2-a]indol-10-yl-1,3,5-triazin-2-yl)phenyl]silane
• PubChem CID: 168744658
• Molecular Formula: C45H32N4Si
• Molecular Weight: 656.87 g/mol
• Exact Mass: 656.24
• IUPAC Name: triphenyl-[4-(4-phenyl-6-pyrido[1,2-a]indol-10-yl-1,3,5-triazin-2-yl)phenyl]silane
• SMILES: c1ccc(-c2nc(-c3ccc([Si](c4ccccc4)(c4ccccc4)c4ccccc4)cc3)nc(-c3c4ccccc4n4ccccc34)n2)cc1
• InChI: InChI=1S/C45H32N4Si/c1-5-17-33(18-6-1)43-46-44(48-45(47-43)42-39-25-13-14-26-40(39)49-32-16-15-27-41(42)49)34-28-30-38(31-29-34)50(35-19-7-2-8-20-35,36-21-9-3-10-22-36)37-23-11-4-12-24-37/h1-32H
• InChIKey: LWKSZTZFHKFGEW-UHFFFAOYSA-N
• XLogP: 7.66
• TPSA: 43.08 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 7
• Heavy Atoms: 50
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	656.87
LogP ≤ 5	7.66
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 triphenyl-[4-(4-phenyl-6-pyrido[1,2-a]indol-10-yl-1,3,5-triazin-2-yl)phenyl]silane?

The IUPAC name of triphenyl-[4-(4-phenyl-6-pyrido[1,2-a]indol-10-yl-1,3,5-triazin-2-yl)phenyl]silane (CID 168744658) is triphenyl-[4-(4-phenyl-6-pyrido[1,2-a]indol-10-yl-1,3,5-triazin-2-yl)phenyl]silane.

What is the SMILES notation for triphenyl-[4-(4-phenyl-6-pyrido[1,2-a]indol-10-yl-1,3,5-triazin-2-yl)phenyl]silane?

The canonical SMILES for triphenyl-[4-(4-phenyl-6-pyrido[1,2-a]indol-10-yl-1,3,5-triazin-2-yl)phenyl]silane is c1ccc(-c2nc(-c3ccc([Si](c4ccccc4)(c4ccccc4)c4ccccc4)cc3)nc(-c3c4ccccc4n4ccccc34)n2)cc1.

What is the InChIKey of triphenyl-[4-(4-phenyl-6-pyrido[1,2-a]indol-10-yl-1,3,5-triazin-2-yl)phenyl]silane?

The InChIKey is LWKSZTZFHKFGEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H32N4Si/c1-5-17-33(18-6-1)43-46-44(48-45(47-43)42-39-25-13-14-26-40(39)49-32-16-15-27-41(42)49)34-28-30-38(31-29-34)50(35-19-7-2-8-20-35,36-21-9-3-10-22-36)37-23-11-4-12-24-37/h1-32H.

What are the key properties of triphenyl-[4-(4-phenyl-6-pyrido[1,2-a]indol-10-yl-1,3,5-triazin-2-yl)phenyl]silane?

triphenyl-[4-(4-phenyl-6-pyrido[1,2-a]indol-10-yl-1,3,5-triazin-2-yl)phenyl]silane has a molecular weight of 656.87 g/mol, XLogP of 7.66, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for triphenyl-[4-(4-phenyl-6-pyrido[1,2-a]indol-10-yl-1,3,5-triazin-2-yl)phenyl]silane is sourced from PubChem (CID 168744658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).