1-[2,6-di(propan-2-yl)phenyl]-2-[3-[3-[1-[4-[4-(2-phenylimidazol-1-yl)-3,5-di(propan-2-yl)phenyl]-2,6-di(propan-2-yl)phenyl]imidazol-2-yl]phenoxy]phenyl]imidazole

C63H68N6O — CID 140803144

About 1-[2,6-di(propan-2-yl)phenyl]-2-[3-[3-[1-[4-[4-(2-phenylimidazol-1-yl)-3,5-di(propan-2-yl)phenyl]-2,6-di(propan-2-yl)phenyl]imidazol-2-yl]phenoxy]phenyl]imidazole

1-[2,6-di(propan-2-yl)phenyl]-2-[3-[3-[1-[4-[4-(2-phenylimidazol-1-yl)-3,5-di(propan-2-yl)phenyl]-2,6-di(propan-2-yl)phenyl]imidazol-2-yl]phenoxy]phenyl]imidazole (PubChem CID 140803144) has the molecular formula C63H68N6O and a molecular weight of 925.28 g/mol. Its IUPAC name is 1-[2,6-di(propan-2-yl)phenyl]-2-[3-[3-[1-[4-[4-(2-phenylimidazol-1-yl)-3,5-di(propan-2-yl)phenyl]-2,6-di(propan-2-yl)phenyl]imidazol-2-yl]phenoxy]phenyl]imidazole.

Molecular Properties

• Compound Name: 1-[2,6-di(propan-2-yl)phenyl]-2-[3-[3-[1-[4-[4-(2-phenylimidazol-1-yl)-3,5-di(propan-2-yl)phenyl]-2,6-di(propan-2-yl)phenyl]imidazol-2-yl]phenoxy]phenyl]imidazole
• PubChem CID: 140803144
• Molecular Formula: C63H68N6O
• Molecular Weight: 925.28 g/mol
• Exact Mass: 924.55
• IUPAC Name: 1-[2,6-di(propan-2-yl)phenyl]-2-[3-[3-[1-[4-[4-(2-phenylimidazol-1-yl)-3,5-di(propan-2-yl)phenyl]-2,6-di(propan-2-yl)phenyl]imidazol-2-yl]phenoxy]phenyl]imidazole
• SMILES: CC(C)c1cccc(C(C)C)c1-n1ccnc1-c1cccc(Oc2cccc(-c3nccn3-c3c(C(C)C)cc(-c4cc(C(C)C)c(-n5ccnc5-c5ccccc5)c(C(C)C)c4)cc3C(C)C)c2)c1
• InChI: InChI=1S/C63H68N6O/c1-39(2)52-25-18-26-53(40(3)4)58(52)67-30-28-65-62(67)46-21-16-23-50(33-46)70-51-24-17-22-47(34-51)63-66-29-32-69(63)60-56(43(9)10)37-49(38-57(60)44(11)12)48-35-54(41(5)6)59(55(36-48)42(7)8)68-31-27-64-61(68)45-19-14-13-15-20-45/h13-44H,1-12H3
• InChIKey: REJQIKCBULLDIZ-UHFFFAOYSA-N
• XLogP: 17.44
• TPSA: 62.69 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 15
• Heavy Atoms: 70
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	925.28
LogP ≤ 5	17.44
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 1-[2,6-di(propan-2-yl)phenyl]-2-[3-[3-[1-[4-[4-(2-phenylimidazol-1-yl)-3,5-di(propan-2-yl)phenyl]-2,6-di(propan-2-yl)phenyl]imidazol-2-yl]phenoxy]phenyl]imidazole?

The IUPAC name of 1-[2,6-di(propan-2-yl)phenyl]-2-[3-[3-[1-[4-[4-(2-phenylimidazol-1-yl)-3,5-di(propan-2-yl)phenyl]-2,6-di(propan-2-yl)phenyl]imidazol-2-yl]phenoxy]phenyl]imidazole (CID 140803144) is 1-[2,6-di(propan-2-yl)phenyl]-2-[3-[3-[1-[4-[4-(2-phenylimidazol-1-yl)-3,5-di(propan-2-yl)phenyl]-2,6-di(propan-2-yl)phenyl]imidazol-2-yl]phenoxy]phenyl]imidazole.

What is the SMILES notation for 1-[2,6-di(propan-2-yl)phenyl]-2-[3-[3-[1-[4-[4-(2-phenylimidazol-1-yl)-3,5-di(propan-2-yl)phenyl]-2,6-di(propan-2-yl)phenyl]imidazol-2-yl]phenoxy]phenyl]imidazole?

The canonical SMILES for 1-[2,6-di(propan-2-yl)phenyl]-2-[3-[3-[1-[4-[4-(2-phenylimidazol-1-yl)-3,5-di(propan-2-yl)phenyl]-2,6-di(propan-2-yl)phenyl]imidazol-2-yl]phenoxy]phenyl]imidazole is CC(C)c1cccc(C(C)C)c1-n1ccnc1-c1cccc(Oc2cccc(-c3nccn3-c3c(C(C)C)cc(-c4cc(C(C)C)c(-n5ccnc5-c5ccccc5)c(C(C)C)c4)cc3C(C)C)c2)c1.

What is the InChIKey of 1-[2,6-di(propan-2-yl)phenyl]-2-[3-[3-[1-[4-[4-(2-phenylimidazol-1-yl)-3,5-di(propan-2-yl)phenyl]-2,6-di(propan-2-yl)phenyl]imidazol-2-yl]phenoxy]phenyl]imidazole?

The InChIKey is REJQIKCBULLDIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C63H68N6O/c1-39(2)52-25-18-26-53(40(3)4)58(52)67-30-28-65-62(67)46-21-16-23-50(33-46)70-51-24-17-22-47(34-51)63-66-29-32-69(63)60-56(43(9)10)37-49(38-57(60)44(11)12)48-35-54(41(5)6)59(55(36-48)42(7)8)68-31-27-64-61(68)45-19-14-13-15-20-45/h13-44H,1-12H3.

What are the key properties of 1-[2,6-di(propan-2-yl)phenyl]-2-[3-[3-[1-[4-[4-(2-phenylimidazol-1-yl)-3,5-di(propan-2-yl)phenyl]-2,6-di(propan-2-yl)phenyl]imidazol-2-yl]phenoxy]phenyl]imidazole?

1-[2,6-di(propan-2-yl)phenyl]-2-[3-[3-[1-[4-[4-(2-phenylimidazol-1-yl)-3,5-di(propan-2-yl)phenyl]-2,6-di(propan-2-yl)phenyl]imidazol-2-yl]phenoxy]phenyl]imidazole has a molecular weight of 925.28 g/mol, XLogP of 17.44, 15 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[2,6-di(propan-2-yl)phenyl]-2-[3-[3-[1-[4-[4-(2-phenylimidazol-1-yl)-3,5-di(propan-2-yl)phenyl]-2,6-di(propan-2-yl)phenyl]imidazol-2-yl]phenoxy]phenyl]imidazole is sourced from PubChem (CID 140803144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).