9-(2,6-dipyridin-2-yl-4-pyridinyl)-6,6-diphenylbenzimidazolo[1,2-b][2,1]benzazasilole

C40H27N5Si — CID 171449999

About 9-(2,6-dipyridin-2-yl-4-pyridinyl)-6,6-diphenylbenzimidazolo[1,2-b][2,1]benzazasilole

9-(2,6-dipyridin-2-yl-4-pyridinyl)-6,6-diphenylbenzimidazolo[1,2-b][2,1]benzazasilole (PubChem CID 171449999) has the molecular formula C40H27N5Si and a molecular weight of 605.78 g/mol. Its IUPAC name is 9-(2,6-dipyridin-2-yl-4-pyridinyl)-6,6-diphenylbenzimidazolo[1,2-b][2,1]benzazasilole.

Molecular Properties

• Compound Name: 9-(2,6-dipyridin-2-yl-4-pyridinyl)-6,6-diphenylbenzimidazolo[1,2-b][2,1]benzazasilole
• PubChem CID: 171449999
• Molecular Formula: C40H27N5Si
• Molecular Weight: 605.78 g/mol
• Exact Mass: 605.20
• IUPAC Name: 9-(2,6-dipyridin-2-yl-4-pyridinyl)-6,6-diphenylbenzimidazolo[1,2-b][2,1]benzazasilole
• SMILES: c1ccc([Si]2(c3ccccc3)c3ccc(-c4cc(-c5ccccn5)nc(-c5ccccn5)c4)cc3-c3nc4ccccc4n32)cc1
• InChI: InChI=1S/C40H27N5Si/c1-3-13-30(14-4-1)46(31-15-5-2-6-16-31)39-22-21-28(25-32(39)40-44-35-19-7-8-20-38(35)45(40)46)29-26-36(33-17-9-11-23-41-33)43-37(27-29)34-18-10-12-24-42-34/h1-27H
• InChIKey: LKLCOELWMJCJJN-UHFFFAOYSA-N
• XLogP: 6.72
• TPSA: 56.49 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 46
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	605.78
LogP ≤ 5	6.72
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 9-(2,6-dipyridin-2-yl-4-pyridinyl)-6,6-diphenylbenzimidazolo[1,2-b][2,1]benzazasilole?

The IUPAC name of 9-(2,6-dipyridin-2-yl-4-pyridinyl)-6,6-diphenylbenzimidazolo[1,2-b][2,1]benzazasilole (CID 171449999) is 9-(2,6-dipyridin-2-yl-4-pyridinyl)-6,6-diphenylbenzimidazolo[1,2-b][2,1]benzazasilole.

What is the SMILES notation for 9-(2,6-dipyridin-2-yl-4-pyridinyl)-6,6-diphenylbenzimidazolo[1,2-b][2,1]benzazasilole?

The canonical SMILES for 9-(2,6-dipyridin-2-yl-4-pyridinyl)-6,6-diphenylbenzimidazolo[1,2-b][2,1]benzazasilole is c1ccc([Si]2(c3ccccc3)c3ccc(-c4cc(-c5ccccn5)nc(-c5ccccn5)c4)cc3-c3nc4ccccc4n32)cc1.

What is the InChIKey of 9-(2,6-dipyridin-2-yl-4-pyridinyl)-6,6-diphenylbenzimidazolo[1,2-b][2,1]benzazasilole?

The InChIKey is LKLCOELWMJCJJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H27N5Si/c1-3-13-30(14-4-1)46(31-15-5-2-6-16-31)39-22-21-28(25-32(39)40-44-35-19-7-8-20-38(35)45(40)46)29-26-36(33-17-9-11-23-41-33)43-37(27-29)34-18-10-12-24-42-34/h1-27H.

What are the key properties of 9-(2,6-dipyridin-2-yl-4-pyridinyl)-6,6-diphenylbenzimidazolo[1,2-b][2,1]benzazasilole?

9-(2,6-dipyridin-2-yl-4-pyridinyl)-6,6-diphenylbenzimidazolo[1,2-b][2,1]benzazasilole has a molecular weight of 605.78 g/mol, XLogP of 6.72, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 9-(2,6-dipyridin-2-yl-4-pyridinyl)-6,6-diphenylbenzimidazolo[1,2-b][2,1]benzazasilole is sourced from PubChem (CID 171449999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).