2-dibenzofuran-4-yl-5-(2,6-diphenylpyrimidin-4-yl)benzimidazolo[1,2-a]benzimidazole;2-dibenzothiophen-2-yl-5-(2,6-diphenylpyrimidin-4-yl)benzimidazolo[1,2-a]benzimidazole;2-dibenzothiophen-4-yl-5-(2,6-diphenylpyrimidin-4-yl)benzimidazolo[1,2-a]benzimidazole;2-(3,5-diphenylphenyl)-5-(2,6-diphenylpyrimidin-4-yl)benzimidazolo[1,2-a]benzimidazole

C170H106N20OS2 — CID 159706293

About 2-dibenzofuran-4-yl-5-(2,6-diphenylpyrimidin-4-yl)benzimidazolo[1,2-a]benzimidazole;2-dibenzothiophen-2-yl-5-(2,6-diphenylpyrimidin-4-yl)benzimidazolo[1,2-a]benzimidazole;2-dibenzothiophen-4-yl-5-(2,6-diphenylpyrimidin-4-yl)benzimidazolo[1,2-a]benzimidazole;2-(3,5-diphenylphenyl)-5-(2,6-diphenylpyrimidin-4-yl)benzimidazolo[1,2-a]benzimidazole

2-dibenzofuran-4-yl-5-(2,6-diphenylpyrimidin-4-yl)benzimidazolo[1,2-a]benzimidazole;2-dibenzothiophen-2-yl-5-(2,6-diphenylpyrimidin-4-yl)benzimidazolo[1,2-a]benzimidazole;2-dibenzothiophen-4-yl-5-(2,6-diphenylpyrimidin-4-yl)benzimidazolo[1,2-a]benzimidazole;2-(3,5-diphenylphenyl)-5-(2,6-diphenylpyrimidin-4-yl)benzimidazolo[1,2-a]benzimidazole (PubChem CID 159706293) has the molecular formula C170H106N20OS2 and a molecular weight of 2508.99 g/mol. Its IUPAC name is 2-dibenzofuran-4-yl-5-(2,6-diphenylpyrimidin-4-yl)benzimidazolo[1,2-a]benzimidazole;2-dibenzothiophen-2-yl-5-(2,6-diphenylpyrimidin-4-yl)benzimidazolo[1,2-a]benzimidazole;2-dibenzothiophen-4-yl-5-(2,6-diphenylpyrimidin-4-yl)benzimidazolo[1,2-a]benzimidazole;2-(3,5-diphenylphenyl)-5-(2,6-diphenylpyrimidin-4-yl)benzimidazolo[1,2-a]benzimidazole.

Molecular Properties

• Compound Name: 2-dibenzofuran-4-yl-5-(2,6-diphenylpyrimidin-4-yl)benzimidazolo[1,2-a]benzimidazole;2-dibenzothiophen-2-yl-5-(2,6-diphenylpyrimidin-4-yl)benzimidazolo[1,2-a]benzimidazole;2-dibenzothiophen-4-yl-5-(2,6-diphenylpyrimidin-4-yl)benzimidazolo[1,2-a]benzimidazole;2-(3,5-diphenylphenyl)-5-(2,6-diphenylpyrimidin-4-yl)benzimidazolo[1,2-a]benzimidazole
• PubChem CID: 159706293
• Molecular Formula: C170H106N20OS2
• Molecular Weight: 2508.99 g/mol
• Exact Mass: 2506.83
• IUPAC Name: 2-dibenzofuran-4-yl-5-(2,6-diphenylpyrimidin-4-yl)benzimidazolo[1,2-a]benzimidazole;2-dibenzothiophen-2-yl-5-(2,6-diphenylpyrimidin-4-yl)benzimidazolo[1,2-a]benzimidazole;2-dibenzothiophen-4-yl-5-(2,6-diphenylpyrimidin-4-yl)benzimidazolo[1,2-a]benzimidazole;2-(3,5-diphenylphenyl)-5-(2,6-diphenylpyrimidin-4-yl)benzimidazolo[1,2-a]benzimidazole
• SMILES: c1ccc(-c2cc(-c3ccccc3)cc(-c3ccc4c(c3)n3c5ccccc5nc3n4-c3cc(-c4ccccc4)nc(-c4ccccc4)n3)c2)cc1.c1ccc(-c2cc(-n3c4ccc(-c5ccc6sc7ccccc7c6c5)cc4n4c5ccccc5nc34)nc(-c3ccccc3)n2)cc1.c1ccc(-c2cc(-n3c4ccc(-c5cccc6c5oc5ccccc56)cc4n4c5ccccc5nc34)nc(-c3ccccc3)n2)cc1.c1ccc(-c2cc(-n3c4ccc(-c5cccc6c5sc5ccccc56)cc4n4c5ccccc5nc34)nc(-c3ccccc3)n2)cc1
• InChI: InChI=1S/C47H31N5.C41H25N5O.2C41H25N5S/c1-5-15-32(16-6-1)37-27-38(33-17-7-2-8-18-33)29-39(28-37)36-25-26-43-44(30-36)51-42-24-14-13-23-40(42)49-47(51)52(43)45-31-41(34-19-9-3-10-20-34)48-46(50-45)35-21-11-4-12-22-35;2*1-3-12-26(13-4-1)33-25-38(44-40(42-33)27-14-5-2-6-15-27)46-35-23-22-28(24-36(35)45-34-20-9-8-19-32(34)43-41(45)46)29-17-11-18-31-30-16-7-10-21-37(30)47-39(29)31;1-3-11-26(12-4-1)33-25-39(44-40(42-33)27-13-5-2-6-14-27)46-35-21-19-29(24-36(35)45-34-17-9-8-16-32(34)43-41(45)46)28-20-22-38-31(23-28)30-15-7-10-18-37(30)47-38/h1-31H;3*1-25H
• InChIKey: MYGHFEZKSIOKLN-UHFFFAOYSA-N
• XLogP: 42.86
• TPSA: 205.18 Ų
• H-Bond Acceptors: 23
• Rotatable Bonds: 18
• Heavy Atoms: 193
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2508.99
LogP ≤ 5	42.86
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	23

Frequently Asked Questions

What is the IUPAC name of 2-dibenzofuran-4-yl-5-(2,6-diphenylpyrimidin-4-yl)benzimidazolo[1,2-a]benzimidazole;2-dibenzothiophen-2-yl-5-(2,6-diphenylpyrimidin-4-yl)benzimidazolo[1,2-a]benzimidazole;2-dibenzothiophen-4-yl-5-(2,6-diphenylpyrimidin-4-yl)benzimidazolo[1,2-a]benzimidazole;2-(3,5-diphenylphenyl)-5-(2,6-diphenylpyrimidin-4-yl)benzimidazolo[1,2-a]benzimidazole?

The IUPAC name of 2-dibenzofuran-4-yl-5-(2,6-diphenylpyrimidin-4-yl)benzimidazolo[1,2-a]benzimidazole;2-dibenzothiophen-2-yl-5-(2,6-diphenylpyrimidin-4-yl)benzimidazolo[1,2-a]benzimidazole;2-dibenzothiophen-4-yl-5-(2,6-diphenylpyrimidin-4-yl)benzimidazolo[1,2-a]benzimidazole;2-(3,5-diphenylphenyl)-5-(2,6-diphenylpyrimidin-4-yl)benzimidazolo[1,2-a]benzimidazole (CID 159706293) is 2-dibenzofuran-4-yl-5-(2,6-diphenylpyrimidin-4-yl)benzimidazolo[1,2-a]benzimidazole;2-dibenzothiophen-2-yl-5-(2,6-diphenylpyrimidin-4-yl)benzimidazolo[1,2-a]benzimidazole;2-dibenzothiophen-4-yl-5-(2,6-diphenylpyrimidin-4-yl)benzimidazolo[1,2-a]benzimidazole;2-(3,5-diphenylphenyl)-5-(2,6-diphenylpyrimidin-4-yl)benzimidazolo[1,2-a]benzimidazole.

What is the SMILES notation for 2-dibenzofuran-4-yl-5-(2,6-diphenylpyrimidin-4-yl)benzimidazolo[1,2-a]benzimidazole;2-dibenzothiophen-2-yl-5-(2,6-diphenylpyrimidin-4-yl)benzimidazolo[1,2-a]benzimidazole;2-dibenzothiophen-4-yl-5-(2,6-diphenylpyrimidin-4-yl)benzimidazolo[1,2-a]benzimidazole;2-(3,5-diphenylphenyl)-5-(2,6-diphenylpyrimidin-4-yl)benzimidazolo[1,2-a]benzimidazole?

The canonical SMILES for 2-dibenzofuran-4-yl-5-(2,6-diphenylpyrimidin-4-yl)benzimidazolo[1,2-a]benzimidazole;2-dibenzothiophen-2-yl-5-(2,6-diphenylpyrimidin-4-yl)benzimidazolo[1,2-a]benzimidazole;2-dibenzothiophen-4-yl-5-(2,6-diphenylpyrimidin-4-yl)benzimidazolo[1,2-a]benzimidazole;2-(3,5-diphenylphenyl)-5-(2,6-diphenylpyrimidin-4-yl)benzimidazolo[1,2-a]benzimidazole is c1ccc(-c2cc(-c3ccccc3)cc(-c3ccc4c(c3)n3c5ccccc5nc3n4-c3cc(-c4ccccc4)nc(-c4ccccc4)n3)c2)cc1.c1ccc(-c2cc(-n3c4ccc(-c5ccc6sc7ccccc7c6c5)cc4n4c5ccccc5nc34)nc(-c3ccccc3)n2)cc1.c1ccc(-c2cc(-n3c4ccc(-c5cccc6c5oc5ccccc56)cc4n4c5ccccc5nc34)nc(-c3ccccc3)n2)cc1.c1ccc(-c2cc(-n3c4ccc(-c5cccc6c5sc5ccccc56)cc4n4c5ccccc5nc34)nc(-c3ccccc3)n2)cc1.

What is the InChIKey of 2-dibenzofuran-4-yl-5-(2,6-diphenylpyrimidin-4-yl)benzimidazolo[1,2-a]benzimidazole;2-dibenzothiophen-2-yl-5-(2,6-diphenylpyrimidin-4-yl)benzimidazolo[1,2-a]benzimidazole;2-dibenzothiophen-4-yl-5-(2,6-diphenylpyrimidin-4-yl)benzimidazolo[1,2-a]benzimidazole;2-(3,5-diphenylphenyl)-5-(2,6-diphenylpyrimidin-4-yl)benzimidazolo[1,2-a]benzimidazole?

The InChIKey is MYGHFEZKSIOKLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C47H31N5.C41H25N5O.2C41H25N5S/c1-5-15-32(16-6-1)37-27-38(33-17-7-2-8-18-33)29-39(28-37)36-25-26-43-44(30-36)51-42-24-14-13-23-40(42)49-47(51)52(43)45-31-41(34-19-9-3-10-20-34)48-46(50-45)35-21-11-4-12-22-35;2*1-3-12-26(13-4-1)33-25-38(44-40(42-33)27-14-5-2-6-15-27)46-35-23-22-28(24-36(35)45-34-20-9-8-19-32(34)43-41(45)46)29-17-11-18-31-30-16-7-10-21-37(30)47-39(29)31;1-3-11-26(12-4-1)33-25-39(44-40(42-33)27-13-5-2-6-14-27)46-35-21-19-29(24-36(35)45-34-17-9-8-16-32(34)43-41(45)46)28-20-22-38-31(23-28)30-15-7-10-18-37(30)47-38/h1-31H;3*1-25H.

What are the key properties of 2-dibenzofuran-4-yl-5-(2,6-diphenylpyrimidin-4-yl)benzimidazolo[1,2-a]benzimidazole;2-dibenzothiophen-2-yl-5-(2,6-diphenylpyrimidin-4-yl)benzimidazolo[1,2-a]benzimidazole;2-dibenzothiophen-4-yl-5-(2,6-diphenylpyrimidin-4-yl)benzimidazolo[1,2-a]benzimidazole;2-(3,5-diphenylphenyl)-5-(2,6-diphenylpyrimidin-4-yl)benzimidazolo[1,2-a]benzimidazole?

2-dibenzofuran-4-yl-5-(2,6-diphenylpyrimidin-4-yl)benzimidazolo[1,2-a]benzimidazole;2-dibenzothiophen-2-yl-5-(2,6-diphenylpyrimidin-4-yl)benzimidazolo[1,2-a]benzimidazole;2-dibenzothiophen-4-yl-5-(2,6-diphenylpyrimidin-4-yl)benzimidazolo[1,2-a]benzimidazole;2-(3,5-diphenylphenyl)-5-(2,6-diphenylpyrimidin-4-yl)benzimidazolo[1,2-a]benzimidazole has a molecular weight of 2508.99 g/mol, XLogP of 42.86, 18 rotatable bonds, 0 hydrogen bond donors, and 23 hydrogen bond acceptors.

Where does this data come from?

All data for 2-dibenzofuran-4-yl-5-(2,6-diphenylpyrimidin-4-yl)benzimidazolo[1,2-a]benzimidazole;2-dibenzothiophen-2-yl-5-(2,6-diphenylpyrimidin-4-yl)benzimidazolo[1,2-a]benzimidazole;2-dibenzothiophen-4-yl-5-(2,6-diphenylpyrimidin-4-yl)benzimidazolo[1,2-a]benzimidazole;2-(3,5-diphenylphenyl)-5-(2,6-diphenylpyrimidin-4-yl)benzimidazolo[1,2-a]benzimidazole is sourced from PubChem (CID 159706293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).