3-[4-[8-[2-(3-hydroxyphenyl)-5-phenyl-1H-imidazol-4-yl]dibenzofuran-2-yl]-5-phenyl-1H-imidazol-2-yl]phenol

C42H28N4O3 — CID 3106628

IUPAC3-[4-[8-[2-(3-hydroxyphenyl)-5-phenyl-1H-imidazol-4-yl]dibenzofuran-2-yl]-5-phenyl-1H-imidazol-2-yl]phenol
SMILESOc1cccc(-c2nc(-c3ccc4oc5ccc(-c6nc(-c7cccc(O)c7)[nH]c6-c6ccccc6)cc5c4c3)c(-c3ccccc3)[nH]2)c1
InChIInChI=1S/C42H28N4O3/c47-31-15-7-13-29(21-31)41-43-37(25-9-3-1-4-10-25)39(45-41)27-17-19-35-33(23-27)34-24-28(18-20-36(34)49-35)40-38(26-11-5-2-6-12-26)44-42(46-40)30-14-8-16-32(48)22-30/h1-24,47-48H,(H,43,45)(H,44,46)
InChIKeyRZDGVDNCHMJCFN-UHFFFAOYSA-N
MW636.71 g/mol
LogP10.45
Rot. Bonds6

About 3-[4-[8-[2-(3-hydroxyphenyl)-5-phenyl-1H-imidazol-4-yl]dibenzofuran-2-yl]-5-phenyl-1H-imidazol-2-yl]phenol

3-[4-[8-[2-(3-hydroxyphenyl)-5-phenyl-1H-imidazol-4-yl]dibenzofuran-2-yl]-5-phenyl-1H-imidazol-2-yl]phenol (PubChem CID 3106628) has the molecular formula C42H28N4O3 and a molecular weight of 636.71 g/mol. Its IUPAC name is 3-[4-[8-[2-(3-hydroxyphenyl)-5-phenyl-1H-imidazol-4-yl]dibenzofuran-2-yl]-5-phenyl-1H-imidazol-2-yl]phenol.

Molecular Properties

Compound Name3-[4-[8-[2-(3-hydroxyphenyl)-5-phenyl-1H-imidazol-4-yl]dibenzofuran-2-yl]-5-phenyl-1H-imidazol-2-yl]phenol
PubChem CID3106628
Molecular FormulaC42H28N4O3
Molecular Weight636.71 g/mol
Exact Mass636.22
IUPAC Name3-[4-[8-[2-(3-hydroxyphenyl)-5-phenyl-1H-imidazol-4-yl]dibenzofuran-2-yl]-5-phenyl-1H-imidazol-2-yl]phenol
SMILESOc1cccc(-c2nc(-c3ccc4oc5ccc(-c6nc(-c7cccc(O)c7)[nH]c6-c6ccccc6)cc5c4c3)c(-c3ccccc3)[nH]2)c1
InChIInChI=1S/C42H28N4O3/c47-31-15-7-13-29(21-31)41-43-37(25-9-3-1-4-10-25)39(45-41)27-17-19-35-33(23-27)34-24-28(18-20-36(34)49-35)40-38(26-11-5-2-6-12-26)44-42(46-40)30-14-8-16-32(48)22-30/h1-24,47-48H,(H,43,45)(H,44,46)
InChIKeyRZDGVDNCHMJCFN-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'}

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Frequently Asked Questions

What is the IUPAC name of 3-[4-[8-[2-(3-hydroxyphenyl)-5-phenyl-1H-imidazol-4-yl]dibenzofuran-2-yl]-5-phenyl-1H-imidazol-2-yl]phenol?
The IUPAC name of 3-[4-[8-[2-(3-hydroxyphenyl)-5-phenyl-1H-imidazol-4-yl]dibenzofuran-2-yl]-5-phenyl-1H-imidazol-2-yl]phenol (CID 3106628) is 3-[4-[8-[2-(3-hydroxyphenyl)-5-phenyl-1H-imidazol-4-yl]dibenzofuran-2-yl]-5-phenyl-1H-imidazol-2-yl]phenol.
What is the SMILES notation for 3-[4-[8-[2-(3-hydroxyphenyl)-5-phenyl-1H-imidazol-4-yl]dibenzofuran-2-yl]-5-phenyl-1H-imidazol-2-yl]phenol?
The canonical SMILES for 3-[4-[8-[2-(3-hydroxyphenyl)-5-phenyl-1H-imidazol-4-yl]dibenzofuran-2-yl]-5-phenyl-1H-imidazol-2-yl]phenol is Oc1cccc(-c2nc(-c3ccc4oc5ccc(-c6nc(-c7cccc(O)c7)[nH]c6-c6ccccc6)cc5c4c3)c(-c3ccccc3)[nH]2)c1.
What is the InChIKey of 3-[4-[8-[2-(3-hydroxyphenyl)-5-phenyl-1H-imidazol-4-yl]dibenzofuran-2-yl]-5-phenyl-1H-imidazol-2-yl]phenol?
The InChIKey is RZDGVDNCHMJCFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H28N4O3/c47-31-15-7-13-29(21-31)41-43-37(25-9-3-1-4-10-25)39(45-41)27-17-19-35-33(23-27)34-24-28(18-20-36(34)49-35)40-38(26-11-5-2-6-12-26)44-42(46-40)30-14-8-16-32(48)22-30/h1-24,47-48H,(H,43,45)(H,44,46).
What are the key properties of 3-[4-[8-[2-(3-hydroxyphenyl)-5-phenyl-1H-imidazol-4-yl]dibenzofuran-2-yl]-5-phenyl-1H-imidazol-2-yl]phenol?
3-[4-[8-[2-(3-hydroxyphenyl)-5-phenyl-1H-imidazol-4-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 3-[4-[8-[2-(3-hydroxyphenyl)-5-phenyl-1H-imidazol-4-yl]dibenzofuran-2-yl]-5-phenyl-1H-imidazol-2-yl]phenol is sourced from PubChem (CID 3106628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).