2,4,5-triphenyl-1-[10-(2,4,5-triphenylimidazol-1-yl)decyl]imidazole

C52H50N4 — CID 71654399

IUPAC2,4,5-triphenyl-1-[10-(2,4,5-triphenylimidazol-1-yl)decyl]imidazole
SMILESc1ccc(-c2nc(-c3ccccc3)n(CCCCCCCCCCn3c(-c4ccccc4)nc(-c4ccccc4)c3-c3ccccc3)c2-c2ccccc2)cc1
InChIInChI=1S/C52H50N4/c1(3-5-25-39-55-49(43-31-17-9-18-32-43)47(41-27-13-7-14-28-41)53-51(55)45-35-21-11-22-36-45)2-4-6-26-40-56-50(44-33-19-10-20-34-44)48(42-29-15-8-16-30-42)54-52(56)46-37-23-12-24-38-46/h7-24,27-38H,1-6,25-26,39-40H2
InChIKeyYWLDFWKGOJLIJV-UHFFFAOYSA-N
MW731.00 g/mol
LogP13.90
Rot. Bonds17

About 2,4,5-triphenyl-1-[10-(2,4,5-triphenylimidazol-1-yl)decyl]imidazole

2,4,5-triphenyl-1-[10-(2,4,5-triphenylimidazol-1-yl)decyl]imidazole (PubChem CID 71654399) has the molecular formula C52H50N4 and a molecular weight of 731.00 g/mol. Its IUPAC name is 2,4,5-triphenyl-1-[10-(2,4,5-triphenylimidazol-1-yl)decyl]imidazole.

Molecular Properties

Compound Name2,4,5-triphenyl-1-[10-(2,4,5-triphenylimidazol-1-yl)decyl]imidazole
PubChem CID71654399
Molecular FormulaC52H50N4
Molecular Weight731.00 g/mol
Exact Mass730.40
IUPAC Name2,4,5-triphenyl-1-[10-(2,4,5-triphenylimidazol-1-yl)decyl]imidazole
SMILESc1ccc(-c2nc(-c3ccccc3)n(CCCCCCCCCCn3c(-c4ccccc4)nc(-c4ccccc4)c3-c3ccccc3)c2-c2ccccc2)cc1
InChIInChI=1S/C52H50N4/c1(3-5-25-39-55-49(43-31-17-9-18-32-43)47(41-27-13-7-14-28-41)53-51(55)45-35-21-11-22-36-45)2-4-6-26-40-56-50(44-33-19-10-20-34-44)48(42-29-15-8-16-30-42)54-52(56)46-37-23-12-24-38-46/h7-24,27-38H,1-6,25-26,39-40H2
InChIKeyYWLDFWKGOJLIJV-UHFFFAOYSA-N
XLogP13.90
TPSA35.64 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds17
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500731.00
LogP ≤ 513.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2,4,5-triphenyl-1-[10-(2,4,5-triphenylimidazol-1-yl)decyl]imidazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2,4,5-triphenyl-1-[10-(2,4,5-triphenylimidazol-1-yl)decyl]imidazole?
The IUPAC name of 2,4,5-triphenyl-1-[10-(2,4,5-triphenylimidazol-1-yl)decyl]imidazole (CID 71654399) is 2,4,5-triphenyl-1-[10-(2,4,5-triphenylimidazol-1-yl)decyl]imidazole.
What is the SMILES notation for 2,4,5-triphenyl-1-[10-(2,4,5-triphenylimidazol-1-yl)decyl]imidazole?
The canonical SMILES for 2,4,5-triphenyl-1-[10-(2,4,5-triphenylimidazol-1-yl)decyl]imidazole is c1ccc(-c2nc(-c3ccccc3)n(CCCCCCCCCCn3c(-c4ccccc4)nc(-c4ccccc4)c3-c3ccccc3)c2-c2ccccc2)cc1.
What is the InChIKey of 2,4,5-triphenyl-1-[10-(2,4,5-triphenylimidazol-1-yl)decyl]imidazole?
The InChIKey is YWLDFWKGOJLIJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H50N4/c1(3-5-25-39-55-49(43-31-17-9-18-32-43)47(41-27-13-7-14-28-41)53-51(55)45-35-21-11-22-36-45)2-4-6-26-40-56-50(44-33-19-10-20-34-44)48(42-29-15-8-16-30-42)54-52(56)46-37-23-12-24-38-46/h7-24,27-38H,1-6,25-26,39-40H2.
What are the key properties of 2,4,5-triphenyl-1-[10-(2,4,5-triphenylimidazol-1-yl)decyl]imidazole?
2,4,5-triphenyl-1-[10-(2,4,5-triphenylimidazol-1-yl)decyl]imidazole has a molecular weight of 731.00 g/mol, XLogP of 13.90, 17 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-[10-(2,4,5-triphenylimidazol-1-yl)decyl]imidazole is sourced from PubChem (CID 71654399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).