2,4,5-triphenyl-1-[9-(2,4,5-triphenylimidazol-1-yl)nonyl]imidazole

C51H48N4 — CID 71654400

About 2,4,5-triphenyl-1-[9-(2,4,5-triphenylimidazol-1-yl)nonyl]imidazole

2,4,5-triphenyl-1-[9-(2,4,5-triphenylimidazol-1-yl)nonyl]imidazole (PubChem CID 71654400) has the molecular formula C51H48N4 and a molecular weight of 716.97 g/mol. Its IUPAC name is 2,4,5-triphenyl-1-[9-(2,4,5-triphenylimidazol-1-yl)nonyl]imidazole.

Molecular Properties

• Compound Name: 2,4,5-triphenyl-1-[9-(2,4,5-triphenylimidazol-1-yl)nonyl]imidazole
• PubChem CID: 71654400
• Molecular Formula: C51H48N4
• Molecular Weight: 716.97 g/mol
• Exact Mass: 716.39
• IUPAC Name: 2,4,5-triphenyl-1-[9-(2,4,5-triphenylimidazol-1-yl)nonyl]imidazole
• SMILES: c1ccc(-c2nc(-c3ccccc3)n(CCCCCCCCCn3c(-c4ccccc4)nc(-c4ccccc4)c3-c3ccccc3)c2-c2ccccc2)cc1
• InChI: InChI=1S/C51H48N4/c1(2-4-24-38-54-48(42-30-16-8-17-31-42)46(40-26-12-6-13-27-40)52-50(54)44-34-20-10-21-35-44)3-5-25-39-55-49(43-32-18-9-19-33-43)47(41-28-14-7-15-29-41)53-51(55)45-36-22-11-23-37-45/h6-23,26-37H,1-5,24-25,38-39H2
• InChIKey: XKPJUMBGAFNRPZ-UHFFFAOYSA-N
• XLogP: 13.51
• TPSA: 35.64 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 16
• Heavy Atoms: 55
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	716.97
LogP ≤ 5	13.51
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2,4,5-triphenyl-1-[9-(2,4,5-triphenylimidazol-1-yl)nonyl]imidazole?

The IUPAC name of 2,4,5-triphenyl-1-[9-(2,4,5-triphenylimidazol-1-yl)nonyl]imidazole (CID 71654400) is 2,4,5-triphenyl-1-[9-(2,4,5-triphenylimidazol-1-yl)nonyl]imidazole.

What is the SMILES notation for 2,4,5-triphenyl-1-[9-(2,4,5-triphenylimidazol-1-yl)nonyl]imidazole?

The canonical SMILES for 2,4,5-triphenyl-1-[9-(2,4,5-triphenylimidazol-1-yl)nonyl]imidazole is c1ccc(-c2nc(-c3ccccc3)n(CCCCCCCCCn3c(-c4ccccc4)nc(-c4ccccc4)c3-c3ccccc3)c2-c2ccccc2)cc1.

What is the InChIKey of 2,4,5-triphenyl-1-[9-(2,4,5-triphenylimidazol-1-yl)nonyl]imidazole?

The InChIKey is XKPJUMBGAFNRPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H48N4/c1(2-4-24-38-54-48(42-30-16-8-17-31-42)46(40-26-12-6-13-27-40)52-50(54)44-34-20-10-21-35-44)3-5-25-39-55-49(43-32-18-9-19-33-43)47(41-28-14-7-15-29-41)53-51(55)45-36-22-11-23-37-45/h6-23,26-37H,1-5,24-25,38-39H2.

What are the key properties of 2,4,5-triphenyl-1-[9-(2,4,5-triphenylimidazol-1-yl)nonyl]imidazole?

2,4,5-triphenyl-1-[9-(2,4,5-triphenylimidazol-1-yl)nonyl]imidazole has a molecular weight of 716.97 g/mol, XLogP of 13.51, 16 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2,4,5-triphenyl-1-[9-(2,4,5-triphenylimidazol-1-yl)nonyl]imidazole is sourced from PubChem (CID 71654400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).