1-[4-phenyl-2,6-di(propan-2-yl)phenyl]-2-[4-[7-[4-[3-[4-phenyl-2,6-di(propan-2-yl)phenyl]-5-[4-[2-phenyl-3-[4-phenyl-2,6-di(propan-2-yl)phenyl]-1,2-dihydroimidazol-5-yl]butyl]-1,2-dihydroimidazol-2-yl]phenyl]heptyl]phenyl]imidazole

C92H106N6 — CID 140791225

About 1-[4-phenyl-2,6-di(propan-2-yl)phenyl]-2-[4-[7-[4-[3-[4-phenyl-2,6-di(propan-2-yl)phenyl]-5-[4-[2-phenyl-3-[4-phenyl-2,6-di(propan-2-yl)phenyl]-1,2-dihydroimidazol-5-yl]butyl]-1,2-dihydroimidazol-2-yl]phenyl]heptyl]phenyl]imidazole

1-[4-phenyl-2,6-di(propan-2-yl)phenyl]-2-[4-[7-[4-[3-[4-phenyl-2,6-di(propan-2-yl)phenyl]-5-[4-[2-phenyl-3-[4-phenyl-2,6-di(propan-2-yl)phenyl]-1,2-dihydroimidazol-5-yl]butyl]-1,2-dihydroimidazol-2-yl]phenyl]heptyl]phenyl]imidazole (PubChem CID 140791225) has the molecular formula C92H106N6 and a molecular weight of 1295.90 g/mol. Its IUPAC name is 1-[4-phenyl-2,6-di(propan-2-yl)phenyl]-2-[4-[7-[4-[3-[4-phenyl-2,6-di(propan-2-yl)phenyl]-5-[4-[2-phenyl-3-[4-phenyl-2,6-di(propan-2-yl)phenyl]-1,2-dihydroimidazol-5-yl]butyl]-1,2-dihydroimidazol-2-yl]phenyl]heptyl]phenyl]imidazole.

Molecular Properties

• Compound Name: 1-[4-phenyl-2,6-di(propan-2-yl)phenyl]-2-[4-[7-[4-[3-[4-phenyl-2,6-di(propan-2-yl)phenyl]-5-[4-[2-phenyl-3-[4-phenyl-2,6-di(propan-2-yl)phenyl]-1,2-dihydroimidazol-5-yl]butyl]-1,2-dihydroimidazol-2-yl]phenyl]heptyl]phenyl]imidazole
• PubChem CID: 140791225
• Molecular Formula: C92H106N6
• Molecular Weight: 1295.90 g/mol
• Exact Mass: 1294.85
• IUPAC Name: 1-[4-phenyl-2,6-di(propan-2-yl)phenyl]-2-[4-[7-[4-[3-[4-phenyl-2,6-di(propan-2-yl)phenyl]-5-[4-[2-phenyl-3-[4-phenyl-2,6-di(propan-2-yl)phenyl]-1,2-dihydroimidazol-5-yl]butyl]-1,2-dihydroimidazol-2-yl]phenyl]heptyl]phenyl]imidazole
• SMILES: CC(C)c1cc(-c2ccccc2)cc(C(C)C)c1N1C=C(CCCCC2=CN(c3c(C(C)C)cc(-c4ccccc4)cc3C(C)C)C(c3ccc(CCCCCCCc4ccc(-c5nccn5-c5c(C(C)C)cc(-c6ccccc6)cc5C(C)C)cc4)cc3)N2)NC1c1ccccc1
• InChI: InChI=1S/C92H106N6/c1-62(2)81-54-76(70-34-22-16-23-35-70)55-82(63(3)4)87(81)96-53-52-93-90(96)74-48-44-68(45-49-74)32-20-14-13-15-21-33-69-46-50-75(51-47-69)92-95-80(61-98(92)89-85(66(9)10)58-78(59-86(89)67(11)12)72-38-26-18-27-39-72)43-31-30-42-79-60-97(91(94-79)73-40-28-19-29-41-73)88-83(64(5)6)56-77(57-84(88)65(7)8)71-36-24-17-25-37-71/h16-19,22-29,34-41,44-67,91-92,94-95H,13-15,20-21,30-33,42-43H2,1-12H3
• InChIKey: QVTQGJHXEBHCLY-UHFFFAOYSA-N
• XLogP: 25.18
• TPSA: 48.36 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 28
• Heavy Atoms: 98
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1295.90
LogP ≤ 5	25.18
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 1-[4-phenyl-2,6-di(propan-2-yl)phenyl]-2-[4-[7-[4-[3-[4-phenyl-2,6-di(propan-2-yl)phenyl]-5-[4-[2-phenyl-3-[4-phenyl-2,6-di(propan-2-yl)phenyl]-1,2-dihydroimidazol-5-yl]butyl]-1,2-dihydroimidazol-2-yl]phenyl]heptyl]phenyl]imidazole?

The IUPAC name of 1-[4-phenyl-2,6-di(propan-2-yl)phenyl]-2-[4-[7-[4-[3-[4-phenyl-2,6-di(propan-2-yl)phenyl]-5-[4-[2-phenyl-3-[4-phenyl-2,6-di(propan-2-yl)phenyl]-1,2-dihydroimidazol-5-yl]butyl]-1,2-dihydroimidazol-2-yl]phenyl]heptyl]phenyl]imidazole (CID 140791225) is 1-[4-phenyl-2,6-di(propan-2-yl)phenyl]-2-[4-[7-[4-[3-[4-phenyl-2,6-di(propan-2-yl)phenyl]-5-[4-[2-phenyl-3-[4-phenyl-2,6-di(propan-2-yl)phenyl]-1,2-dihydroimidazol-5-yl]butyl]-1,2-dihydroimidazol-2-yl]phenyl]heptyl]phenyl]imidazole.

What is the SMILES notation for 1-[4-phenyl-2,6-di(propan-2-yl)phenyl]-2-[4-[7-[4-[3-[4-phenyl-2,6-di(propan-2-yl)phenyl]-5-[4-[2-phenyl-3-[4-phenyl-2,6-di(propan-2-yl)phenyl]-1,2-dihydroimidazol-5-yl]butyl]-1,2-dihydroimidazol-2-yl]phenyl]heptyl]phenyl]imidazole?

The canonical SMILES for 1-[4-phenyl-2,6-di(propan-2-yl)phenyl]-2-[4-[7-[4-[3-[4-phenyl-2,6-di(propan-2-yl)phenyl]-5-[4-[2-phenyl-3-[4-phenyl-2,6-di(propan-2-yl)phenyl]-1,2-dihydroimidazol-5-yl]butyl]-1,2-dihydroimidazol-2-yl]phenyl]heptyl]phenyl]imidazole is CC(C)c1cc(-c2ccccc2)cc(C(C)C)c1N1C=C(CCCCC2=CN(c3c(C(C)C)cc(-c4ccccc4)cc3C(C)C)C(c3ccc(CCCCCCCc4ccc(-c5nccn5-c5c(C(C)C)cc(-c6ccccc6)cc5C(C)C)cc4)cc3)N2)NC1c1ccccc1.

What is the InChIKey of 1-[4-phenyl-2,6-di(propan-2-yl)phenyl]-2-[4-[7-[4-[3-[4-phenyl-2,6-di(propan-2-yl)phenyl]-5-[4-[2-phenyl-3-[4-phenyl-2,6-di(propan-2-yl)phenyl]-1,2-dihydroimidazol-5-yl]butyl]-1,2-dihydroimidazol-2-yl]phenyl]heptyl]phenyl]imidazole?

The InChIKey is QVTQGJHXEBHCLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C92H106N6/c1-62(2)81-54-76(70-34-22-16-23-35-70)55-82(63(3)4)87(81)96-53-52-93-90(96)74-48-44-68(45-49-74)32-20-14-13-15-21-33-69-46-50-75(51-47-69)92-95-80(61-98(92)89-85(66(9)10)58-78(59-86(89)67(11)12)72-38-26-18-27-39-72)43-31-30-42-79-60-97(91(94-79)73-40-28-19-29-41-73)88-83(64(5)6)56-77(57-84(88)65(7)8)71-36-24-17-25-37-71/h16-19,22-29,34-41,44-67,91-92,94-95H,13-15,20-21,30-33,42-43H2,1-12H3.

What are the key properties of 1-[4-phenyl-2,6-di(propan-2-yl)phenyl]-2-[4-[7-[4-[3-[4-phenyl-2,6-di(propan-2-yl)phenyl]-5-[4-[2-phenyl-3-[4-phenyl-2,6-di(propan-2-yl)phenyl]-1,2-dihydroimidazol-5-yl]butyl]-1,2-dihydroimidazol-2-yl]phenyl]heptyl]phenyl]imidazole?

1-[4-phenyl-2,6-di(propan-2-yl)phenyl]-2-[4-[7-[4-[3-[4-phenyl-2,6-di(propan-2-yl)phenyl]-5-[4-[2-phenyl-3-[4-phenyl-2,6-di(propan-2-yl)phenyl]-1,2-dihydroimidazol-5-yl]butyl]-1,2-dihydroimidazol-2-yl]phenyl]heptyl]phenyl]imidazole has a molecular weight of 1295.90 g/mol, XLogP of 25.18, 28 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[4-phenyl-2,6-di(propan-2-yl)phenyl]-2-[4-[7-[4-[3-[4-phenyl-2,6-di(propan-2-yl)phenyl]-5-[4-[2-phenyl-3-[4-phenyl-2,6-di(propan-2-yl)phenyl]-1,2-dihydroimidazol-5-yl]butyl]-1,2-dihydroimidazol-2-yl]phenyl]heptyl]phenyl]imidazole is sourced from PubChem (CID 140791225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).