bis[4-[2-(3-iodophenyl)-4-phenyl-1H-imidazol-5-yl]phenyl]methanone

C43H28I2N4O — CID 3106847

IUPACbis[4-[2-(3-iodophenyl)-4-phenyl-1H-imidazol-5-yl]phenyl]methanone
SMILESO=C(c1ccc(-c2[nH]c(-c3cccc(I)c3)nc2-c2ccccc2)cc1)c1ccc(-c2[nH]c(-c3cccc(I)c3)nc2-c2ccccc2)cc1
InChIInChI=1S/C43H28I2N4O/c44-35-15-7-13-33(25-35)42-46-37(27-9-3-1-4-10-27)39(48-42)29-17-21-31(22-18-29)41(50)32-23-19-30(20-24-32)40-38(28-11-5-2-6-12-28)47-43(49-40)34-14-8-16-36(45)26-34/h1-26H,(H,46,48)(H,47,49)
InChIKeyNMOQUXPSDXOAFV-UHFFFAOYSA-N
MW870.53 g/mol
LogP11.57
Rot. Bonds8

About bis[4-[2-(3-iodophenyl)-4-phenyl-1H-imidazol-5-yl]phenyl]methanone

bis[4-[2-(3-iodophenyl)-4-phenyl-1H-imidazol-5-yl]phenyl]methanone (PubChem CID 3106847) has the molecular formula C43H28I2N4O and a molecular weight of 870.53 g/mol. Its IUPAC name is bis[4-[2-(3-iodophenyl)-4-phenyl-1H-imidazol-5-yl]phenyl]methanone.

Molecular Properties

Compound Namebis[4-[2-(3-iodophenyl)-4-phenyl-1H-imidazol-5-yl]phenyl]methanone
PubChem CID3106847
Molecular FormulaC43H28I2N4O
Molecular Weight870.53 g/mol
Exact Mass870.04
IUPAC Namebis[4-[2-(3-iodophenyl)-4-phenyl-1H-imidazol-5-yl]phenyl]methanone
SMILESO=C(c1ccc(-c2[nH]c(-c3cccc(I)c3)nc2-c2ccccc2)cc1)c1ccc(-c2[nH]c(-c3cccc(I)c3)nc2-c2ccccc2)cc1
InChIInChI=1S/C43H28I2N4O/c44-35-15-7-13-33(25-35)42-46-37(27-9-3-1-4-10-27)39(48-42)29-17-21-31(22-18-29)41(50)32-23-19-30(20-24-32)40-38(28-11-5-2-6-12-28)47-43(49-40)34-14-8-16-36(45)26-34/h1-26H,(H,46,48)(H,47,49)
InChIKeyNMOQUXPSDXOAFV-UHFFFAOYSA-N
XLogP11.57
TPSA74.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500870.53
LogP ≤ 511.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imidazole_A(19)', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

2-(3-iodophenyl)-4-[4-[2-(3-iodophenyl)-4-phenyl-1H-imidazol-5-yl]phenyl]-5-phenyl-1H-imidazole
CID 135398995
4-[4-[4-[4-[2-(4-carboxyphenyl)-5-phenyl-1H-imidazol-4-yl]benzoyl]phenyl]-5-phenyl-1H-imidazol-2-yl]benzoic acid
CID 135533952
[4-[2-(4-methylphenyl)-4-phenyl-1H-imidazol-5-yl]phenyl]-[4-[2-(4-methylphenyl)-5-phenyl-1H-imidazol-4-yl]phenyl]methanone
CID 135438613
[4-[2-(4-bromophenyl)-4-phenyl-1H-imidazol-5-yl]phenyl]-[4-[2-(4-bromophenyl)-5-phenyl-1H-imidazol-4-yl]phenyl]methanone
CID 135495717
[4-[2-(4-methylphenyl)-4-phenyl-1H-imidazol-5-yl]phenyl]-phenylmethanone
CID 2259189
bis[4-[2-(4-bromophenyl)-4-phenyl-1H-imidazol-5-yl]phenyl]methanone
CID 3106846
[4-[2-(4-methoxyphenyl)-4-phenyl-1H-imidazol-5-yl]phenyl]-[4-[2-(4-methoxyphenyl)-5-phenyl-1H-imidazol-4-yl]phenyl]methanone
CID 135495721
4-[4-[3-[2-(4-carboxyphenyl)-5-phenyl-1H-imidazol-4-yl]phenyl]-5-phenyl-1H-imidazol-2-yl]benzoic acid
CID 3123820
2,7-bis[2-(3-iodophenyl)-5-phenyl-1H-imidazol-4-yl]fluoren-9-one
CID 3112521
(4-fluorophenyl)-[4-[4-phenyl-2-[4-(2-phenylethynyl)phenyl]-1H-imidazol-5-yl]phenyl]methanone
CID 22310518
phenyl-[4-[4-phenyl-2-(2,4,5-trimethoxyphenyl)-1H-imidazol-5-yl]phenyl]methanone
CID 2208629
5-[4-[4-(2,4-diphenyl-1H-imidazol-5-yl)phenyl]phenyl]-2,4-diphenyl-1H-imidazole
CID 3106607

Frequently Asked Questions

What is the IUPAC name of bis[4-[2-(3-iodophenyl)-4-phenyl-1H-imidazol-5-yl]phenyl]methanone?
The IUPAC name of bis[4-[2-(3-iodophenyl)-4-phenyl-1H-imidazol-5-yl]phenyl]methanone (CID 3106847) is bis[4-[2-(3-iodophenyl)-4-phenyl-1H-imidazol-5-yl]phenyl]methanone.
What is the SMILES notation for bis[4-[2-(3-iodophenyl)-4-phenyl-1H-imidazol-5-yl]phenyl]methanone?
The canonical SMILES for bis[4-[2-(3-iodophenyl)-4-phenyl-1H-imidazol-5-yl]phenyl]methanone is O=C(c1ccc(-c2[nH]c(-c3cccc(I)c3)nc2-c2ccccc2)cc1)c1ccc(-c2[nH]c(-c3cccc(I)c3)nc2-c2ccccc2)cc1.
What is the InChIKey of bis[4-[2-(3-iodophenyl)-4-phenyl-1H-imidazol-5-yl]phenyl]methanone?
The InChIKey is NMOQUXPSDXOAFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H28I2N4O/c44-35-15-7-13-33(25-35)42-46-37(27-9-3-1-4-10-27)39(48-42)29-17-21-31(22-18-29)41(50)32-23-19-30(20-24-32)40-38(28-11-5-2-6-12-28)47-43(49-40)34-14-8-16-36(45)26-34/h1-26H,(H,46,48)(H,47,49).
What are the key properties of bis[4-[2-(3-iodophenyl)-4-phenyl-1H-imidazol-5-yl]phenyl]methanone?
bis[4-[2-(3-iodophenyl)-4-phenyl-1H-imidazol-5-yl]phenyl]methanone has a molecular weight of 870.53 g/mol, XLogP of 11.57, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for bis[4-[2-(3-iodophenyl)-4-phenyl-1H-imidazol-5-yl]phenyl]methanone is sourced from PubChem (CID 3106847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).