5,10-diphenyl-2-pyridin-2-yl-10-(3-pyridin-2-ylphenyl)benzo[b][1,4]benzazasiline

C40H29N3Si — CID 140752665

About 5,10-diphenyl-2-pyridin-2-yl-10-(3-pyridin-2-ylphenyl)benzo[b][1,4]benzazasiline

5,10-diphenyl-2-pyridin-2-yl-10-(3-pyridin-2-ylphenyl)benzo[b][1,4]benzazasiline (PubChem CID 140752665) has the molecular formula C40H29N3Si and a molecular weight of 579.78 g/mol. Its IUPAC name is 5,10-diphenyl-2-pyridin-2-yl-10-(3-pyridin-2-ylphenyl)benzo[b][1,4]benzazasiline.

Molecular Properties

• Compound Name: 5,10-diphenyl-2-pyridin-2-yl-10-(3-pyridin-2-ylphenyl)benzo[b][1,4]benzazasiline
• PubChem CID: 140752665
• Molecular Formula: C40H29N3Si
• Molecular Weight: 579.78 g/mol
• Exact Mass: 579.21
• IUPAC Name: 5,10-diphenyl-2-pyridin-2-yl-10-(3-pyridin-2-ylphenyl)benzo[b][1,4]benzazasiline
• SMILES: c1ccc(N2c3ccccc3[Si](c3ccccc3)(c3cccc(-c4ccccn4)c3)c3cc(-c4ccccn4)ccc32)cc1
• InChI: InChI=1S/C40H29N3Si/c1-3-15-32(16-4-1)43-37-22-7-8-23-39(37)44(33-17-5-2-6-18-33,34-19-13-14-30(28-34)35-20-9-11-26-41-35)40-29-31(24-25-38(40)43)36-21-10-12-27-42-36/h1-29H
• InChIKey: TVTGCOOMFIZNKX-UHFFFAOYSA-N
• XLogP: 6.97
• TPSA: 29.02 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 5
• Heavy Atoms: 44
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	579.78
LogP ≤ 5	6.97
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 5,10-diphenyl-2-pyridin-2-yl-10-(3-pyridin-2-ylphenyl)benzo[b][1,4]benzazasiline?

The IUPAC name of 5,10-diphenyl-2-pyridin-2-yl-10-(3-pyridin-2-ylphenyl)benzo[b][1,4]benzazasiline (CID 140752665) is 5,10-diphenyl-2-pyridin-2-yl-10-(3-pyridin-2-ylphenyl)benzo[b][1,4]benzazasiline.

What is the SMILES notation for 5,10-diphenyl-2-pyridin-2-yl-10-(3-pyridin-2-ylphenyl)benzo[b][1,4]benzazasiline?

The canonical SMILES for 5,10-diphenyl-2-pyridin-2-yl-10-(3-pyridin-2-ylphenyl)benzo[b][1,4]benzazasiline is c1ccc(N2c3ccccc3[Si](c3ccccc3)(c3cccc(-c4ccccn4)c3)c3cc(-c4ccccn4)ccc32)cc1.

What is the InChIKey of 5,10-diphenyl-2-pyridin-2-yl-10-(3-pyridin-2-ylphenyl)benzo[b][1,4]benzazasiline?

The InChIKey is TVTGCOOMFIZNKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H29N3Si/c1-3-15-32(16-4-1)43-37-22-7-8-23-39(37)44(33-17-5-2-6-18-33,34-19-13-14-30(28-34)35-20-9-11-26-41-35)40-29-31(24-25-38(40)43)36-21-10-12-27-42-36/h1-29H.

What are the key properties of 5,10-diphenyl-2-pyridin-2-yl-10-(3-pyridin-2-ylphenyl)benzo[b][1,4]benzazasiline?

5,10-diphenyl-2-pyridin-2-yl-10-(3-pyridin-2-ylphenyl)benzo[b][1,4]benzazasiline has a molecular weight of 579.78 g/mol, XLogP of 6.97, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 5,10-diphenyl-2-pyridin-2-yl-10-(3-pyridin-2-ylphenyl)benzo[b][1,4]benzazasiline is sourced from PubChem (CID 140752665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).