9-[[4-[6-(2-cyclohexylimidazol-1-yl)-2,8-di(propan-2-yl)dibenzofuran-4-yl]benzimidazol-1-yl]methoxymethyl]carbazole

C48H47N5O2 — CID 58059136

About 9-[[4-[6-(2-cyclohexylimidazol-1-yl)-2,8-di(propan-2-yl)dibenzofuran-4-yl]benzimidazol-1-yl]methoxymethyl]carbazole

9-[[4-[6-(2-cyclohexylimidazol-1-yl)-2,8-di(propan-2-yl)dibenzofuran-4-yl]benzimidazol-1-yl]methoxymethyl]carbazole (PubChem CID 58059136) has the molecular formula C48H47N5O2 and a molecular weight of 725.94 g/mol. Its IUPAC name is 9-[[4-[6-(2-cyclohexylimidazol-1-yl)-2,8-di(propan-2-yl)dibenzofuran-4-yl]benzimidazol-1-yl]methoxymethyl]carbazole.

Molecular Properties

• Compound Name: 9-[[4-[6-(2-cyclohexylimidazol-1-yl)-2,8-di(propan-2-yl)dibenzofuran-4-yl]benzimidazol-1-yl]methoxymethyl]carbazole
• PubChem CID: 58059136
• Molecular Formula: C48H47N5O2
• Molecular Weight: 725.94 g/mol
• Exact Mass: 725.37
• IUPAC Name: 9-[[4-[6-(2-cyclohexylimidazol-1-yl)-2,8-di(propan-2-yl)dibenzofuran-4-yl]benzimidazol-1-yl]methoxymethyl]carbazole
• SMILES: CC(C)c1cc(-c2cccc3c2ncn3COCn2c3ccccc3c3ccccc32)c2oc3c(-n4ccnc4C4CCCCC4)cc(C(C)C)cc3c2c1
• InChI: InChI=1S/C48H47N5O2/c1-30(2)33-23-38(46-39(24-33)40-25-34(31(3)4)26-44(47(40)55-46)52-22-21-49-48(52)32-13-6-5-7-14-32)37-17-12-20-43-45(37)50-27-51(43)28-54-29-53-41-18-10-8-15-35(41)36-16-9-11-19-42(36)53/h8-12,15-27,30-32H,5-7,13-14,28-29H2,1-4H3
• InChIKey: LYDVGCJXIPHTIL-UHFFFAOYSA-N
• XLogP: 12.82
• TPSA: 62.94 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 9
• Heavy Atoms: 55
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	725.94
LogP ≤ 5	12.82
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 9-[[4-[6-(2-cyclohexylimidazol-1-yl)-2,8-di(propan-2-yl)dibenzofuran-4-yl]benzimidazol-1-yl]methoxymethyl]carbazole?

The IUPAC name of 9-[[4-[6-(2-cyclohexylimidazol-1-yl)-2,8-di(propan-2-yl)dibenzofuran-4-yl]benzimidazol-1-yl]methoxymethyl]carbazole (CID 58059136) is 9-[[4-[6-(2-cyclohexylimidazol-1-yl)-2,8-di(propan-2-yl)dibenzofuran-4-yl]benzimidazol-1-yl]methoxymethyl]carbazole.

What is the SMILES notation for 9-[[4-[6-(2-cyclohexylimidazol-1-yl)-2,8-di(propan-2-yl)dibenzofuran-4-yl]benzimidazol-1-yl]methoxymethyl]carbazole?

The canonical SMILES for 9-[[4-[6-(2-cyclohexylimidazol-1-yl)-2,8-di(propan-2-yl)dibenzofuran-4-yl]benzimidazol-1-yl]methoxymethyl]carbazole is CC(C)c1cc(-c2cccc3c2ncn3COCn2c3ccccc3c3ccccc32)c2oc3c(-n4ccnc4C4CCCCC4)cc(C(C)C)cc3c2c1.

What is the InChIKey of 9-[[4-[6-(2-cyclohexylimidazol-1-yl)-2,8-di(propan-2-yl)dibenzofuran-4-yl]benzimidazol-1-yl]methoxymethyl]carbazole?

The InChIKey is LYDVGCJXIPHTIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H47N5O2/c1-30(2)33-23-38(46-39(24-33)40-25-34(31(3)4)26-44(47(40)55-46)52-22-21-49-48(52)32-13-6-5-7-14-32)37-17-12-20-43-45(37)50-27-51(43)28-54-29-53-41-18-10-8-15-35(41)36-16-9-11-19-42(36)53/h8-12,15-27,30-32H,5-7,13-14,28-29H2,1-4H3.

What are the key properties of 9-[[4-[6-(2-cyclohexylimidazol-1-yl)-2,8-di(propan-2-yl)dibenzofuran-4-yl]benzimidazol-1-yl]methoxymethyl]carbazole?

9-[[4-[6-(2-cyclohexylimidazol-1-yl)-2,8-di(propan-2-yl)dibenzofuran-4-yl]benzimidazol-1-yl]methoxymethyl]carbazole has a molecular weight of 725.94 g/mol, XLogP of 12.82, 9 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 9-[[4-[6-(2-cyclohexylimidazol-1-yl)-2,8-di(propan-2-yl)dibenzofuran-4-yl]benzimidazol-1-yl]methoxymethyl]carbazole is sourced from PubChem (CID 58059136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).