10-[1-(2,6-diphenylphenyl)benzimidazol-2-yl]-8-[3-(3-phenyl-2H-benzimidazol-1-yl)phenoxy]pyrido[4,3-b][1,4]benzoselenazine

C55H38N6OSe — CID 168840585

About 10-[1-(2,6-diphenylphenyl)benzimidazol-2-yl]-8-[3-(3-phenyl-2H-benzimidazol-1-yl)phenoxy]pyrido[4,3-b][1,4]benzoselenazine

10-[1-(2,6-diphenylphenyl)benzimidazol-2-yl]-8-[3-(3-phenyl-2H-benzimidazol-1-yl)phenoxy]pyrido[4,3-b][1,4]benzoselenazine (PubChem CID 168840585) has the molecular formula C55H38N6OSe and a molecular weight of 877.91 g/mol. Its IUPAC name is 10-[1-(2,6-diphenylphenyl)benzimidazol-2-yl]-8-[3-(3-phenyl-2H-benzimidazol-1-yl)phenoxy]pyrido[4,3-b][1,4]benzoselenazine.

Molecular Properties

• Compound Name: 10-[1-(2,6-diphenylphenyl)benzimidazol-2-yl]-8-[3-(3-phenyl-2H-benzimidazol-1-yl)phenoxy]pyrido[4,3-b][1,4]benzoselenazine
• PubChem CID: 168840585
• Molecular Formula: C55H38N6OSe
• Molecular Weight: 877.91 g/mol
• Exact Mass: 878.23
• IUPAC Name: 10-[1-(2,6-diphenylphenyl)benzimidazol-2-yl]-8-[3-(3-phenyl-2H-benzimidazol-1-yl)phenoxy]pyrido[4,3-b][1,4]benzoselenazine
• SMILES: c1ccc(-c2cccc(-c3ccccc3)c2-n2c(N3c4cnccc4[Se]c4ccc(Oc5cccc(N6CN(c7ccccc7)c7ccccc76)c5)cc43)nc3ccccc32)cc1
• InChI: InChI=1S/C55H38N6OSe/c1-4-16-38(17-5-1)44-24-15-25-45(39-18-6-2-7-19-39)54(44)61-47-27-11-10-26-46(47)57-55(61)60-50-35-43(30-31-52(50)63-53-32-33-56-36-51(53)60)62-42-23-14-22-41(34-42)59-37-58(40-20-8-3-9-21-40)48-28-12-13-29-49(48)59/h1-36H,37H2
• InChIKey: VAOZDUYPCBYYGY-UHFFFAOYSA-N
• XLogP: 12.23
• TPSA: 49.66 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 8
• Heavy Atoms: 63
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	877.91
LogP ≤ 5	12.23
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 10-[1-(2,6-diphenylphenyl)benzimidazol-2-yl]-8-[3-(3-phenyl-2H-benzimidazol-1-yl)phenoxy]pyrido[4,3-b][1,4]benzoselenazine?

The IUPAC name of 10-[1-(2,6-diphenylphenyl)benzimidazol-2-yl]-8-[3-(3-phenyl-2H-benzimidazol-1-yl)phenoxy]pyrido[4,3-b][1,4]benzoselenazine (CID 168840585) is 10-[1-(2,6-diphenylphenyl)benzimidazol-2-yl]-8-[3-(3-phenyl-2H-benzimidazol-1-yl)phenoxy]pyrido[4,3-b][1,4]benzoselenazine.

What is the SMILES notation for 10-[1-(2,6-diphenylphenyl)benzimidazol-2-yl]-8-[3-(3-phenyl-2H-benzimidazol-1-yl)phenoxy]pyrido[4,3-b][1,4]benzoselenazine?

The canonical SMILES for 10-[1-(2,6-diphenylphenyl)benzimidazol-2-yl]-8-[3-(3-phenyl-2H-benzimidazol-1-yl)phenoxy]pyrido[4,3-b][1,4]benzoselenazine is c1ccc(-c2cccc(-c3ccccc3)c2-n2c(N3c4cnccc4[Se]c4ccc(Oc5cccc(N6CN(c7ccccc7)c7ccccc76)c5)cc43)nc3ccccc32)cc1.

What is the InChIKey of 10-[1-(2,6-diphenylphenyl)benzimidazol-2-yl]-8-[3-(3-phenyl-2H-benzimidazol-1-yl)phenoxy]pyrido[4,3-b][1,4]benzoselenazine?

The InChIKey is VAOZDUYPCBYYGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C55H38N6OSe/c1-4-16-38(17-5-1)44-24-15-25-45(39-18-6-2-7-19-39)54(44)61-47-27-11-10-26-46(47)57-55(61)60-50-35-43(30-31-52(50)63-53-32-33-56-36-51(53)60)62-42-23-14-22-41(34-42)59-37-58(40-20-8-3-9-21-40)48-28-12-13-29-49(48)59/h1-36H,37H2.

What are the key properties of 10-[1-(2,6-diphenylphenyl)benzimidazol-2-yl]-8-[3-(3-phenyl-2H-benzimidazol-1-yl)phenoxy]pyrido[4,3-b][1,4]benzoselenazine?

10-[1-(2,6-diphenylphenyl)benzimidazol-2-yl]-8-[3-(3-phenyl-2H-benzimidazol-1-yl)phenoxy]pyrido[4,3-b][1,4]benzoselenazine has a molecular weight of 877.91 g/mol, XLogP of 12.23, 8 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 10-[1-(2,6-diphenylphenyl)benzimidazol-2-yl]-8-[3-(3-phenyl-2H-benzimidazol-1-yl)phenoxy]pyrido[4,3-b][1,4]benzoselenazine is sourced from PubChem (CID 168840585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).