3-[5-[4-[2-(3-hydroxyphenyl)-4-(3-iodophenyl)-1H-imidazol-5-yl]phenyl]-4-(3-iodophenyl)-1H-imidazol-2-yl]phenol

C36H24I2N4O2 — CID 3106623

IUPAC3-[5-[4-[2-(3-hydroxyphenyl)-4-(3-iodophenyl)-1H-imidazol-5-yl]phenyl]-4-(3-iodophenyl)-1H-imidazol-2-yl]phenol
SMILESOc1cccc(-c2nc(-c3cccc(I)c3)c(-c3ccc(-c4[nH]c(-c5cccc(O)c5)nc4-c4cccc(I)c4)cc3)[nH]2)c1
InChIInChI=1S/C36H24I2N4O2/c37-27-9-1-5-23(17-27)33-31(39-35(41-33)25-7-3-11-29(43)19-25)21-13-15-22(16-14-21)32-34(24-6-2-10-28(38)18-24)42-36(40-32)26-8-4-12-30(44)20-26/h1-20,43-44H,(H,39,41)(H,40,42)
InChIKeyIRFXCMDIWANXLS-UHFFFAOYSA-N
MW798.42 g/mol
LogP9.76
Rot. Bonds6

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

3-[5-[4-[2-(3-hydroxyphenyl)-4-(3-iodophenyl)-1H-imidazol-5-yl]phenyl]-4-(3-iodophenyl)-1H-imidazol-2-yl]phenol (PubChem CID 3106623) has the molecular formula C36H24I2N4O2 and a molecular weight of 798.42 g/mol. Its IUPAC name is 3-[5-[4-[2-(3-hydroxyphenyl)-4-(3-iodophenyl)-1H-imidazol-5-yl]phenyl]-4-(3-iodophenyl)-1H-imidazol-2-yl]phenol.

Molecular Properties

Compound Name3-[5-[4-[2-(3-hydroxyphenyl)-4-(3-iodophenyl)-1H-imidazol-5-yl]phenyl]-4-(3-iodophenyl)-1H-imidazol-2-yl]phenol
PubChem CID3106623
Molecular FormulaC36H24I2N4O2
Molecular Weight798.42 g/mol
Exact Mass798.00
IUPAC Name3-[5-[4-[2-(3-hydroxyphenyl)-4-(3-iodophenyl)-1H-imidazol-5-yl]phenyl]-4-(3-iodophenyl)-1H-imidazol-2-yl]phenol
SMILESOc1cccc(-c2nc(-c3cccc(I)c3)c(-c3ccc(-c4[nH]c(-c5cccc(O)c5)nc4-c4cccc(I)c4)cc3)[nH]2)c1
InChIInChI=1S/C36H24I2N4O2/c37-27-9-1-5-23(17-27)33-31(39-35(41-33)25-7-3-11-29(43)19-25)21-13-15-22(16-14-21)32-34(24-6-2-10-28(38)18-24)42-36(40-32)26-8-4-12-30(44)20-26/h1-20,43-44H,(H,39,41)(H,40,42)
InChIKeyIRFXCMDIWANXLS-UHFFFAOYSA-N
XLogP9.76
TPSA97.82 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500798.42
LogP ≤ 59.76
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-[5-[4-[2-(3-hydroxyphenyl)-4-(3-iodophenyl)-1H-imidazol-5-yl]phenyl]-4-(3-iodophenyl)-1H-imidazol-2-yl]phenol?
The IUPAC name of 3-[5-[4-[2-(3-hydroxyphenyl)-4-(3-iodophenyl)-1H-imidazol-5-yl]phenyl]-4-(3-iodophenyl)-1H-imidazol-2-yl]phenol (CID 3106623) is 3-[5-[4-[2-(3-hydroxyphenyl)-4-(3-iodophenyl)-1H-imidazol-5-yl]phenyl]-4-(3-iodophenyl)-1H-imidazol-2-yl]phenol.
What is the SMILES notation for 3-[5-[4-[2-(3-hydroxyphenyl)-4-(3-iodophenyl)-1H-imidazol-5-yl]phenyl]-4-(3-iodophenyl)-1H-imidazol-2-yl]phenol?
The canonical SMILES for 3-[5-[4-[2-(3-hydroxyphenyl)-4-(3-iodophenyl)-1H-imidazol-5-yl]phenyl]-4-(3-iodophenyl)-1H-imidazol-2-yl]phenol is Oc1cccc(-c2nc(-c3cccc(I)c3)c(-c3ccc(-c4[nH]c(-c5cccc(O)c5)nc4-c4cccc(I)c4)cc3)[nH]2)c1.
What is the InChIKey of 3-[5-[4-[2-(3-hydroxyphenyl)-4-(3-iodophenyl)-1H-imidazol-5-yl]phenyl]-4-(3-iodophenyl)-1H-imidazol-2-yl]phenol?
The InChIKey is IRFXCMDIWANXLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H24I2N4O2/c37-27-9-1-5-23(17-27)33-31(39-35(41-33)25-7-3-11-29(43)19-25)21-13-15-22(16-14-21)32-34(24-6-2-10-28(38)18-24)42-36(40-32)26-8-4-12-30(44)20-26/h1-20,43-44H,(H,39,41)(H,40,42).
What are the key properties of 3-[5-[4-[2-(3-hydroxyphenyl)-4-(3-iodophenyl)-1H-imidazol-5-yl]phenyl]-4-(3-iodophenyl)-1H-imidazol-2-yl]phenol?
3-[5-[4-[2-(3-hydroxyphenyl)-4-(3-iodophenyl)-1H-imidazol-5-yl]phenyl]-4-(3-iodophenyl)-1H-imidazol-2-yl]phenol has a molecular weight of 798.42 g/mol, XLogP of 9.76, 6 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-[4-[2-(3-hydroxyphenyl)-4-(3-iodophenyl)-1H-imidazol-5-yl]phenyl]-4-(3-iodophenyl)-1H-imidazol-2-yl]phenol is sourced from PubChem (CID 3106623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).