bis(carbon dioxide);4-[4-[8-(2,5-diphenyl-1H-imidazol-4-yl)dibenzofuran-2-yl]-5-phenyl-1H-imidazol-2-yl]benzoic acid;methyl 4-[4-[8-[2-(4-methylphenyl)-5-phenyl-1H-imidazol-4-yl]dibenzofuran-2-yl]-5-phenyl-1H-imidazol-2-yl]benzoate

C90H60N8O10 — CID 157413088

About bis(carbon dioxide);4-[4-[8-(2,5-diphenyl-1H-imidazol-4-yl)dibenzofuran-2-yl]-5-phenyl-1H-imidazol-2-yl]benzoic acid;methyl 4-[4-[8-[2-(4-methylphenyl)-5-phenyl-1H-imidazol-4-yl]dibenzofuran-2-yl]-5-phenyl-1H-imidazol-2-yl]benzoate

bis(carbon dioxide);4-[4-[8-(2,5-diphenyl-1H-imidazol-4-yl)dibenzofuran-2-yl]-5-phenyl-1H-imidazol-2-yl]benzoic acid;methyl 4-[4-[8-[2-(4-methylphenyl)-5-phenyl-1H-imidazol-4-yl]dibenzofuran-2-yl]-5-phenyl-1H-imidazol-2-yl]benzoate (PubChem CID 157413088) has the molecular formula C90H60N8O10 and a molecular weight of 1413.52 g/mol. Its IUPAC name is bis(carbon dioxide);4-[4-[8-(2,5-diphenyl-1H-imidazol-4-yl)dibenzofuran-2-yl]-5-phenyl-1H-imidazol-2-yl]benzoic acid;methyl 4-[4-[8-[2-(4-methylphenyl)-5-phenyl-1H-imidazol-4-yl]dibenzofuran-2-yl]-5-phenyl-1H-imidazol-2-yl]benzoate.

Molecular Properties

• Compound Name: bis(carbon dioxide);4-[4-[8-(2,5-diphenyl-1H-imidazol-4-yl)dibenzofuran-2-yl]-5-phenyl-1H-imidazol-2-yl]benzoic acid;methyl 4-[4-[8-[2-(4-methylphenyl)-5-phenyl-1H-imidazol-4-yl]dibenzofuran-2-yl]-5-phenyl-1H-imidazol-2-yl]benzoate
• PubChem CID: 157413088
• Molecular Formula: C90H60N8O10
• Molecular Weight: 1413.52 g/mol
• Exact Mass: 1412.44
• IUPAC Name: bis(carbon dioxide);4-[4-[8-(2,5-diphenyl-1H-imidazol-4-yl)dibenzofuran-2-yl]-5-phenyl-1H-imidazol-2-yl]benzoic acid;methyl 4-[4-[8-[2-(4-methylphenyl)-5-phenyl-1H-imidazol-4-yl]dibenzofuran-2-yl]-5-phenyl-1H-imidazol-2-yl]benzoate
• SMILES: COC(=O)c1ccc(-c2nc(-c3ccc4oc5ccc(-c6nc(-c7ccc(C)cc7)[nH]c6-c6ccccc6)cc5c4c3)c(-c3ccccc3)[nH]2)cc1.O=C(O)c1ccc(-c2nc(-c3ccc4oc5ccc(-c6nc(-c7ccccc7)[nH]c6-c6ccccc6)cc5c4c3)c(-c3ccccc3)[nH]2)cc1.O=C=O.O=C=O
• InChI: InChI=1S/C45H32N4O3.C43H28N4O3.2CO2/c1-27-13-15-30(16-14-27)43-46-39(28-9-5-3-6-10-28)41(48-43)33-21-23-37-35(25-33)36-26-34(22-24-38(36)52-37)42-40(29-11-7-4-8-12-29)47-44(49-42)31-17-19-32(20-18-31)45(50)51-2;48-43(49)30-18-16-29(17-19-30)42-45-38(27-12-6-2-7-13-27)40(47-42)32-21-23-36-34(25-32)33-24-31(20-22-35(33)50-36)39-37(26-10-4-1-5-11-26)44-41(46-39)28-14-8-3-9-15-28;2*2-1-3/h3-26H,1-2H3,(H,46,48)(H,47,49);1-25H,(H,44,46)(H,45,47)(H,48,49)
• InChIKey: BONDQTCOIFYHDS-UHFFFAOYSA-N
• XLogP: 20.69
• TPSA: 272.88 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 13
• Rotatable Bonds: 14
• Heavy Atoms: 108
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1413.52
LogP ≤ 5	20.69
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	13

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'imidazole_A(19)', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of bis(carbon dioxide);4-[4-[8-(2,5-diphenyl-1H-imidazol-4-yl)dibenzofuran-2-yl]-5-phenyl-1H-imidazol-2-yl]benzoic acid;methyl 4-[4-[8-[2-(4-methylphenyl)-5-phenyl-1H-imidazol-4-yl]dibenzofuran-2-yl]-5-phenyl-1H-imidazol-2-yl]benzoate?

The IUPAC name of bis(carbon dioxide);4-[4-[8-(2,5-diphenyl-1H-imidazol-4-yl)dibenzofuran-2-yl]-5-phenyl-1H-imidazol-2-yl]benzoic acid;methyl 4-[4-[8-[2-(4-methylphenyl)-5-phenyl-1H-imidazol-4-yl]dibenzofuran-2-yl]-5-phenyl-1H-imidazol-2-yl]benzoate (CID 157413088) is bis(carbon dioxide);4-[4-[8-(2,5-diphenyl-1H-imidazol-4-yl)dibenzofuran-2-yl]-5-phenyl-1H-imidazol-2-yl]benzoic acid;methyl 4-[4-[8-[2-(4-methylphenyl)-5-phenyl-1H-imidazol-4-yl]dibenzofuran-2-yl]-5-phenyl-1H-imidazol-2-yl]benzoate.

What is the SMILES notation for bis(carbon dioxide);4-[4-[8-(2,5-diphenyl-1H-imidazol-4-yl)dibenzofuran-2-yl]-5-phenyl-1H-imidazol-2-yl]benzoic acid;methyl 4-[4-[8-[2-(4-methylphenyl)-5-phenyl-1H-imidazol-4-yl]dibenzofuran-2-yl]-5-phenyl-1H-imidazol-2-yl]benzoate?

The canonical SMILES for bis(carbon dioxide);4-[4-[8-(2,5-diphenyl-1H-imidazol-4-yl)dibenzofuran-2-yl]-5-phenyl-1H-imidazol-2-yl]benzoic acid;methyl 4-[4-[8-[2-(4-methylphenyl)-5-phenyl-1H-imidazol-4-yl]dibenzofuran-2-yl]-5-phenyl-1H-imidazol-2-yl]benzoate is COC(=O)c1ccc(-c2nc(-c3ccc4oc5ccc(-c6nc(-c7ccc(C)cc7)[nH]c6-c6ccccc6)cc5c4c3)c(-c3ccccc3)[nH]2)cc1.O=C(O)c1ccc(-c2nc(-c3ccc4oc5ccc(-c6nc(-c7ccccc7)[nH]c6-c6ccccc6)cc5c4c3)c(-c3ccccc3)[nH]2)cc1.O=C=O.O=C=O.

What is the InChIKey of bis(carbon dioxide);4-[4-[8-(2,5-diphenyl-1H-imidazol-4-yl)dibenzofuran-2-yl]-5-phenyl-1H-imidazol-2-yl]benzoic acid;methyl 4-[4-[8-[2-(4-methylphenyl)-5-phenyl-1H-imidazol-4-yl]dibenzofuran-2-yl]-5-phenyl-1H-imidazol-2-yl]benzoate?

The InChIKey is BONDQTCOIFYHDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H32N4O3.C43H28N4O3.2CO2/c1-27-13-15-30(16-14-27)43-46-39(28-9-5-3-6-10-28)41(48-43)33-21-23-37-35(25-33)36-26-34(22-24-38(36)52-37)42-40(29-11-7-4-8-12-29)47-44(49-42)31-17-19-32(20-18-31)45(50)51-2;48-43(49)30-18-16-29(17-19-30)42-45-38(27-12-6-2-7-13-27)40(47-42)32-21-23-36-34(25-32)33-24-31(20-22-35(33)50-36)39-37(26-10-4-1-5-11-26)44-41(46-39)28-14-8-3-9-15-28;2*2-1-3/h3-26H,1-2H3,(H,46,48)(H,47,49);1-25H,(H,44,46)(H,45,47)(H,48,49);;.

What are the key properties of bis(carbon dioxide);4-[4-[8-(2,5-diphenyl-1H-imidazol-4-yl)dibenzofuran-2-yl]-5-phenyl-1H-imidazol-2-yl]benzoic acid;methyl 4-[4-[8-[2-(4-methylphenyl)-5-phenyl-1H-imidazol-4-yl]dibenzofuran-2-yl]-5-phenyl-1H-imidazol-2-yl]benzoate?

bis(carbon dioxide);4-[4-[8-(2,5-diphenyl-1H-imidazol-4-yl)dibenzofuran-2-yl]-5-phenyl-1H-imidazol-2-yl]benzoic acid;methyl 4-[4-[8-[2-(4-methylphenyl)-5-phenyl-1H-imidazol-4-yl]dibenzofuran-2-yl]-5-phenyl-1H-imidazol-2-yl]benzoate has a molecular weight of 1413.52 g/mol, XLogP of 20.69, 14 rotatable bonds, 5 hydrogen bond donors, and 13 hydrogen bond acceptors.

Where does this data come from?

All data for bis(carbon dioxide);4-[4-[8-(2,5-diphenyl-1H-imidazol-4-yl)dibenzofuran-2-yl]-5-phenyl-1H-imidazol-2-yl]benzoic acid;methyl 4-[4-[8-[2-(4-methylphenyl)-5-phenyl-1H-imidazol-4-yl]dibenzofuran-2-yl]-5-phenyl-1H-imidazol-2-yl]benzoate is sourced from PubChem (CID 157413088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).