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

C50H35N5Si — CID 158724090

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

[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-diphenyl-(9-phenylpyrido[2,3-b]indol-6-yl)silane (PubChem CID 158724090) has the molecular formula C50H35N5Si and a molecular weight of 733.95 g/mol. Its IUPAC name is [3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-diphenyl-(9-phenylpyrido[2,3-b]indol-6-yl)silane.

Molecular Properties

• Compound Name: [3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-diphenyl-(9-phenylpyrido[2,3-b]indol-6-yl)silane
• PubChem CID: 158724090
• Molecular Formula: C50H35N5Si
• Molecular Weight: 733.95 g/mol
• Exact Mass: 733.27
• IUPAC Name: [3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-diphenyl-(9-phenylpyrido[2,3-b]indol-6-yl)silane
• SMILES: c1ccc(-c2nc(-c3ccccc3)nc(-c3cccc([Si](c4ccccc4)(c4ccccc4)c4ccc5c(c4)c4cccnc4n5-c4ccccc4)c3)n2)cc1
• InChI: InChI=1S/C50H35N5Si/c1-6-18-36(19-7-1)47-52-48(37-20-8-2-9-21-37)54-49(53-47)38-22-16-29-42(34-38)56(40-25-12-4-13-26-40,41-27-14-5-15-28-41)43-31-32-46-45(35-43)44-30-17-33-51-50(44)55(46)39-23-10-3-11-24-39/h1-35H
• InChIKey: ONMZKKVCCYIJBQ-UHFFFAOYSA-N
• XLogP: 8.74
• TPSA: 56.49 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 8
• Heavy Atoms: 56
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	733.95
LogP ≤ 5	8.74
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 [3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-diphenyl-(9-phenylpyrido[2,3-b]indol-6-yl)silane?

The IUPAC name of [3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-diphenyl-(9-phenylpyrido[2,3-b]indol-6-yl)silane (CID 158724090) is [3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-diphenyl-(9-phenylpyrido[2,3-b]indol-6-yl)silane.

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

The canonical SMILES for [3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-diphenyl-(9-phenylpyrido[2,3-b]indol-6-yl)silane is c1ccc(-c2nc(-c3ccccc3)nc(-c3cccc([Si](c4ccccc4)(c4ccccc4)c4ccc5c(c4)c4cccnc4n5-c4ccccc4)c3)n2)cc1.

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

The InChIKey is ONMZKKVCCYIJBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H35N5Si/c1-6-18-36(19-7-1)47-52-48(37-20-8-2-9-21-37)54-49(53-47)38-22-16-29-42(34-38)56(40-25-12-4-13-26-40,41-27-14-5-15-28-41)43-31-32-46-45(35-43)44-30-17-33-51-50(44)55(46)39-23-10-3-11-24-39/h1-35H.

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

[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-diphenyl-(9-phenylpyrido[2,3-b]indol-6-yl)silane has a molecular weight of 733.95 g/mol, XLogP of 8.74, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for [3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-diphenyl-(9-phenylpyrido[2,3-b]indol-6-yl)silane is sourced from PubChem (CID 158724090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).