1-(2,6-diphenylphenyl)-3-(2-iodo-6-phenylphenyl)-2H-imidazole

C33H25IN2 — CID 146180840

IUPAC1-(2,6-diphenylphenyl)-3-(2-iodo-6-phenylphenyl)-2H-imidazole
SMILESIc1cccc(-c2ccccc2)c1N1C=CN(c2c(-c3ccccc3)cccc2-c2ccccc2)C1
InChIInChI=1S/C33H25IN2/c34-31-21-11-20-30(27-16-8-3-9-17-27)33(31)36-23-22-35(24-36)32-28(25-12-4-1-5-13-25)18-10-19-29(32)26-14-6-2-7-15-26/h1-23H,24H2
InChIKeyKQHBUYLNVYDCAW-UHFFFAOYSA-N
MW576.48 g/mol
LogP9.05
Rot. Bonds5

About 1-(2,6-diphenylphenyl)-3-(2-iodo-6-phenylphenyl)-2H-imidazole

1-(2,6-diphenylphenyl)-3-(2-iodo-6-phenylphenyl)-2H-imidazole (PubChem CID 146180840) has the molecular formula C33H25IN2 and a molecular weight of 576.48 g/mol. Its IUPAC name is 1-(2,6-diphenylphenyl)-3-(2-iodo-6-phenylphenyl)-2H-imidazole.

Molecular Properties

Compound Name1-(2,6-diphenylphenyl)-3-(2-iodo-6-phenylphenyl)-2H-imidazole
PubChem CID146180840
Molecular FormulaC33H25IN2
Molecular Weight576.48 g/mol
Exact Mass576.11
IUPAC Name1-(2,6-diphenylphenyl)-3-(2-iodo-6-phenylphenyl)-2H-imidazole
SMILESIc1cccc(-c2ccccc2)c1N1C=CN(c2c(-c3ccccc3)cccc2-c2ccccc2)C1
InChIInChI=1S/C33H25IN2/c34-31-21-11-20-30(27-16-8-3-9-17-27)33(31)36-23-22-35(24-36)32-28(25-12-4-1-5-13-25)18-10-19-29(32)26-14-6-2-7-15-26/h1-23H,24H2
InChIKeyKQHBUYLNVYDCAW-UHFFFAOYSA-N
XLogP9.05
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500576.48
LogP ≤ 59.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(2,6-diphenylphenyl)-3-(2-iodo-6-phenylphenyl)-2H-imidazole?
The IUPAC name of 1-(2,6-diphenylphenyl)-3-(2-iodo-6-phenylphenyl)-2H-imidazole (CID 146180840) is 1-(2,6-diphenylphenyl)-3-(2-iodo-6-phenylphenyl)-2H-imidazole.
What is the SMILES notation for 1-(2,6-diphenylphenyl)-3-(2-iodo-6-phenylphenyl)-2H-imidazole?
The canonical SMILES for 1-(2,6-diphenylphenyl)-3-(2-iodo-6-phenylphenyl)-2H-imidazole is Ic1cccc(-c2ccccc2)c1N1C=CN(c2c(-c3ccccc3)cccc2-c2ccccc2)C1.
What is the InChIKey of 1-(2,6-diphenylphenyl)-3-(2-iodo-6-phenylphenyl)-2H-imidazole?
The InChIKey is KQHBUYLNVYDCAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H25IN2/c34-31-21-11-20-30(27-16-8-3-9-17-27)33(31)36-23-22-35(24-36)32-28(25-12-4-1-5-13-25)18-10-19-29(32)26-14-6-2-7-15-26/h1-23H,24H2.
What are the key properties of 1-(2,6-diphenylphenyl)-3-(2-iodo-6-phenylphenyl)-2H-imidazole?
1-(2,6-diphenylphenyl)-3-(2-iodo-6-phenylphenyl)-2H-imidazole has a molecular weight of 576.48 g/mol, XLogP of 9.05, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-diphenylphenyl)-3-(2-iodo-6-phenylphenyl)-2H-imidazole is sourced from PubChem (CID 146180840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).