4-[4-[8-[2-(4-hydroxyphenyl)-4-phenyl-1H-imidazol-5-yl]dibenzofuran-2-yl]-5-phenyl-1H-imidazol-2-yl]phenol

C42H28N4O3 — CID 135403990

IUPAC4-[4-[8-[2-(4-hydroxyphenyl)-4-phenyl-1H-imidazol-5-yl]dibenzofuran-2-yl]-5-phenyl-1H-imidazol-2-yl]phenol
SMILESOc1ccc(-c2nc(-c3ccc4oc5ccc(-c6[nH]c(-c7ccc(O)cc7)nc6-c6ccccc6)cc5c4c3)c(-c3ccccc3)[nH]2)cc1
InChIInChI=1S/C42H28N4O3/c47-31-17-11-27(12-18-31)41-43-37(25-7-3-1-4-8-25)39(45-41)29-15-21-35-33(23-29)34-24-30(16-22-36(34)49-35)40-38(26-9-5-2-6-10-26)44-42(46-40)28-13-19-32(48)20-14-28/h1-24,47-48H,(H,43,45)(H,44,46)
InChIKeyLFPPEIQRWSPQQB-UHFFFAOYSA-N
MW636.71 g/mol
LogP10.45
Rot. Bonds6

About 4-[4-[8-[2-(4-hydroxyphenyl)-4-phenyl-1H-imidazol-5-yl]dibenzofuran-2-yl]-5-phenyl-1H-imidazol-2-yl]phenol

4-[4-[8-[2-(4-hydroxyphenyl)-4-phenyl-1H-imidazol-5-yl]dibenzofuran-2-yl]-5-phenyl-1H-imidazol-2-yl]phenol (PubChem CID 135403990) has the molecular formula C42H28N4O3 and a molecular weight of 636.71 g/mol. Its IUPAC name is 4-[4-[8-[2-(4-hydroxyphenyl)-4-phenyl-1H-imidazol-5-yl]dibenzofuran-2-yl]-5-phenyl-1H-imidazol-2-yl]phenol.

Molecular Properties

Compound Name4-[4-[8-[2-(4-hydroxyphenyl)-4-phenyl-1H-imidazol-5-yl]dibenzofuran-2-yl]-5-phenyl-1H-imidazol-2-yl]phenol
PubChem CID135403990
Molecular FormulaC42H28N4O3
Molecular Weight636.71 g/mol
Exact Mass636.22
IUPAC Name4-[4-[8-[2-(4-hydroxyphenyl)-4-phenyl-1H-imidazol-5-yl]dibenzofuran-2-yl]-5-phenyl-1H-imidazol-2-yl]phenol
SMILESOc1ccc(-c2nc(-c3ccc4oc5ccc(-c6[nH]c(-c7ccc(O)cc7)nc6-c6ccccc6)cc5c4c3)c(-c3ccccc3)[nH]2)cc1
InChIInChI=1S/C42H28N4O3/c47-31-17-11-27(12-18-31)41-43-37(25-7-3-1-4-8-25)39(45-41)29-15-21-35-33(23-29)34-24-30(16-22-36(34)49-35)40-38(26-9-5-2-6-10-26)44-42(46-40)28-13-19-32(48)20-14-28/h1-24,47-48H,(H,43,45)(H,44,46)
InChIKeyLFPPEIQRWSPQQB-UHFFFAOYSA-N
XLogP10.45
TPSA110.96 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500636.71
LogP ≤ 510.45
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 4-[4-[8-[2-(4-hydroxyphenyl)-4-phenyl-1H-imidazol-5-yl]dibenzofuran-2-yl]-5-phenyl-1H-imidazol-2-yl]phenol 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 4-[4-[8-[2-(4-hydroxyphenyl)-4-phenyl-1H-imidazol-5-yl]dibenzofuran-2-yl]-5-phenyl-1H-imidazol-2-yl]phenol?
The IUPAC name of 4-[4-[8-[2-(4-hydroxyphenyl)-4-phenyl-1H-imidazol-5-yl]dibenzofuran-2-yl]-5-phenyl-1H-imidazol-2-yl]phenol (CID 135403990) is 4-[4-[8-[2-(4-hydroxyphenyl)-4-phenyl-1H-imidazol-5-yl]dibenzofuran-2-yl]-5-phenyl-1H-imidazol-2-yl]phenol.
What is the SMILES notation for 4-[4-[8-[2-(4-hydroxyphenyl)-4-phenyl-1H-imidazol-5-yl]dibenzofuran-2-yl]-5-phenyl-1H-imidazol-2-yl]phenol?
The canonical SMILES for 4-[4-[8-[2-(4-hydroxyphenyl)-4-phenyl-1H-imidazol-5-yl]dibenzofuran-2-yl]-5-phenyl-1H-imidazol-2-yl]phenol is Oc1ccc(-c2nc(-c3ccc4oc5ccc(-c6[nH]c(-c7ccc(O)cc7)nc6-c6ccccc6)cc5c4c3)c(-c3ccccc3)[nH]2)cc1.
What is the InChIKey of 4-[4-[8-[2-(4-hydroxyphenyl)-4-phenyl-1H-imidazol-5-yl]dibenzofuran-2-yl]-5-phenyl-1H-imidazol-2-yl]phenol?
The InChIKey is LFPPEIQRWSPQQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H28N4O3/c47-31-17-11-27(12-18-31)41-43-37(25-7-3-1-4-8-25)39(45-41)29-15-21-35-33(23-29)34-24-30(16-22-36(34)49-35)40-38(26-9-5-2-6-10-26)44-42(46-40)28-13-19-32(48)20-14-28/h1-24,47-48H,(H,43,45)(H,44,46).
What are the key properties of 4-[4-[8-[2-(4-hydroxyphenyl)-4-phenyl-1H-imidazol-5-yl]dibenzofuran-2-yl]-5-phenyl-1H-imidazol-2-yl]phenol?
4-[4-[8-[2-(4-hydroxyphenyl)-4-phenyl-1H-imidazol-5-yl]dibenzofuran-2-yl]-5-phenyl-1H-imidazol-2-yl]phenol has a molecular weight of 636.71 g/mol, XLogP of 10.45, 6 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[8-[2-(4-hydroxyphenyl)-4-phenyl-1H-imidazol-5-yl]dibenzofuran-2-yl]-5-phenyl-1H-imidazol-2-yl]phenol is sourced from PubChem (CID 135403990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).