2,4,5-triphenyl-1-[6-(2,4,5-triphenylimidazol-1-yl)hexyl]imidazole

C48H42N4 — CID 71717040

IUPAC2,4,5-triphenyl-1-[6-(2,4,5-triphenylimidazol-1-yl)hexyl]imidazole
SMILESc1ccc(-c2nc(-c3ccccc3)n(CCCCCCn3c(-c4ccccc4)nc(-c4ccccc4)c3-c3ccccc3)c2-c2ccccc2)cc1
InChIInChI=1S/C48H42N4/c1(21-35-51-45(39-27-13-5-14-28-39)43(37-23-9-3-10-24-37)49-47(51)41-31-17-7-18-32-41)2-22-36-52-46(40-29-15-6-16-30-40)44(38-25-11-4-12-26-38)50-48(52)42-33-19-8-20-34-42/h3-20,23-34H,1-2,21-22,35-36H2
InChIKeyCXQBYKRFHZWRQW-UHFFFAOYSA-N
MW674.89 g/mol
LogP12.34
Rot. Bonds13

About 2,4,5-triphenyl-1-[6-(2,4,5-triphenylimidazol-1-yl)hexyl]imidazole

2,4,5-triphenyl-1-[6-(2,4,5-triphenylimidazol-1-yl)hexyl]imidazole (PubChem CID 71717040) has the molecular formula C48H42N4 and a molecular weight of 674.89 g/mol. Its IUPAC name is 2,4,5-triphenyl-1-[6-(2,4,5-triphenylimidazol-1-yl)hexyl]imidazole.

Molecular Properties

Compound Name2,4,5-triphenyl-1-[6-(2,4,5-triphenylimidazol-1-yl)hexyl]imidazole
PubChem CID71717040
Molecular FormulaC48H42N4
Molecular Weight674.89 g/mol
Exact Mass674.34
IUPAC Name2,4,5-triphenyl-1-[6-(2,4,5-triphenylimidazol-1-yl)hexyl]imidazole
SMILESc1ccc(-c2nc(-c3ccccc3)n(CCCCCCn3c(-c4ccccc4)nc(-c4ccccc4)c3-c3ccccc3)c2-c2ccccc2)cc1
InChIInChI=1S/C48H42N4/c1(21-35-51-45(39-27-13-5-14-28-39)43(37-23-9-3-10-24-37)49-47(51)41-31-17-7-18-32-41)2-22-36-52-46(40-29-15-6-16-30-40)44(38-25-11-4-12-26-38)50-48(52)42-33-19-8-20-34-42/h3-20,23-34H,1-2,21-22,35-36H2
InChIKeyCXQBYKRFHZWRQW-UHFFFAOYSA-N
XLogP12.34
TPSA35.64 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds13
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500674.89
LogP ≤ 512.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,4,5-triphenyl-1-[6-(2,4,5-triphenylimidazol-1-yl)hexyl]imidazole?
The IUPAC name of 2,4,5-triphenyl-1-[6-(2,4,5-triphenylimidazol-1-yl)hexyl]imidazole (CID 71717040) is 2,4,5-triphenyl-1-[6-(2,4,5-triphenylimidazol-1-yl)hexyl]imidazole.
What is the SMILES notation for 2,4,5-triphenyl-1-[6-(2,4,5-triphenylimidazol-1-yl)hexyl]imidazole?
The canonical SMILES for 2,4,5-triphenyl-1-[6-(2,4,5-triphenylimidazol-1-yl)hexyl]imidazole is c1ccc(-c2nc(-c3ccccc3)n(CCCCCCn3c(-c4ccccc4)nc(-c4ccccc4)c3-c3ccccc3)c2-c2ccccc2)cc1.
What is the InChIKey of 2,4,5-triphenyl-1-[6-(2,4,5-triphenylimidazol-1-yl)hexyl]imidazole?
The InChIKey is CXQBYKRFHZWRQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H42N4/c1(21-35-51-45(39-27-13-5-14-28-39)43(37-23-9-3-10-24-37)49-47(51)41-31-17-7-18-32-41)2-22-36-52-46(40-29-15-6-16-30-40)44(38-25-11-4-12-26-38)50-48(52)42-33-19-8-20-34-42/h3-20,23-34H,1-2,21-22,35-36H2.
What are the key properties of 2,4,5-triphenyl-1-[6-(2,4,5-triphenylimidazol-1-yl)hexyl]imidazole?
2,4,5-triphenyl-1-[6-(2,4,5-triphenylimidazol-1-yl)hexyl]imidazole has a molecular weight of 674.89 g/mol, XLogP of 12.34, 13 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-[6-(2,4,5-triphenylimidazol-1-yl)hexyl]imidazole is sourced from PubChem (CID 71717040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).