4-[4-[7-[2-(4-hydroxyphenyl)-4-phenyl-1H-imidazol-5-yl]dibenzofuran-3-yl]-5-phenyl-1H-imidazol-2-yl]phenol

C42H28N4O3 — CID 135446515

IUPAC4-[4-[7-[2-(4-hydroxyphenyl)-4-phenyl-1H-imidazol-5-yl]dibenzofuran-3-yl]-5-phenyl-1H-imidazol-2-yl]phenol
SMILESOc1ccc(-c2nc(-c3ccc4c(c3)oc3cc(-c5[nH]c(-c6ccc(O)cc6)nc5-c5ccccc5)ccc34)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)29-15-21-33-34-22-16-30(24-36(34)49-35(33)23-29)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)
InChIKeyVWIWNEUOJISTFW-UHFFFAOYSA-N
MW636.71 g/mol
LogP10.45
Rot. Bonds6

About 4-[4-[7-[2-(4-hydroxyphenyl)-4-phenyl-1H-imidazol-5-yl]dibenzofuran-3-yl]-5-phenyl-1H-imidazol-2-yl]phenol

4-[4-[7-[2-(4-hydroxyphenyl)-4-phenyl-1H-imidazol-5-yl]dibenzofuran-3-yl]-5-phenyl-1H-imidazol-2-yl]phenol (PubChem CID 135446515) has the molecular formula C42H28N4O3 and a molecular weight of 636.71 g/mol. Its IUPAC name is 4-[4-[7-[2-(4-hydroxyphenyl)-4-phenyl-1H-imidazol-5-yl]dibenzofuran-3-yl]-5-phenyl-1H-imidazol-2-yl]phenol.

Molecular Properties

Compound Name4-[4-[7-[2-(4-hydroxyphenyl)-4-phenyl-1H-imidazol-5-yl]dibenzofuran-3-yl]-5-phenyl-1H-imidazol-2-yl]phenol
PubChem CID135446515
Molecular FormulaC42H28N4O3
Molecular Weight636.71 g/mol
Exact Mass636.22
IUPAC Name4-[4-[7-[2-(4-hydroxyphenyl)-4-phenyl-1H-imidazol-5-yl]dibenzofuran-3-yl]-5-phenyl-1H-imidazol-2-yl]phenol
SMILESOc1ccc(-c2nc(-c3ccc4c(c3)oc3cc(-c5[nH]c(-c6ccc(O)cc6)nc5-c5ccccc5)ccc34)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)29-15-21-33-34-22-16-30(24-36(34)49-35(33)23-29)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)
InChIKeyVWIWNEUOJISTFW-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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Related Compounds

3-[4-[7-[2-(1H-indol-3-yl)-4-phenyl-1H-imidazol-5-yl]dibenzofuran-3-yl]-5-phenyl-1H-imidazol-2-yl]-1H-indole
CID 135407484
2-(4-methoxyphenyl)-5-[8-[2-(4-methoxyphenyl)-4-phenyl-1H-imidazol-5-yl]dibenzofuran-2-yl]-4-phenyl-1H-imidazole
CID 135415841
2-(4-methoxyphenyl)-4-[8-[2-(4-methoxyphenyl)-5-phenyl-1H-imidazol-4-yl]dibenzofuran-2-yl]-5-phenyl-1H-imidazole
CID 3106630
acetic acid;hexakis(2-(furan-2-yl)-4-[8-[2-(furan-2-yl)-4-phenyl-1H-imidazol-5-yl]dibenzofuran-2-yl]-5-phenyl-1H-imidazole)
CID 163330799
4-[4,5-bis(4-methoxyphenyl)-1H-imidazol-2-yl]phenol
CID 1101726
4-[4-[3-[2-(4-carboxyphenyl)-5-phenyl-1H-imidazol-4-yl]phenyl]-5-phenyl-1H-imidazol-2-yl]benzoic acid
CID 3123820
2-(3-iodophenyl)-4-[4-[2-(3-iodophenyl)-4-phenyl-1H-imidazol-5-yl]phenyl]-5-phenyl-1H-imidazole
CID 135398995
2-chloro-5-(2-phenyl-5-pyridin-4-yl-1H-imidazol-4-yl)phenol;hydrochloride
CID 44533820
4-[5-[4-[2-[4-(dimethylamino)phenyl]-4-phenyl-1H-imidazol-5-yl]phenyl]-4-phenyl-1H-imidazol-2-yl]-N,N-dimethylaniline
CID 3106619
4,5-bis[4-(4-methoxyphenyl)phenyl]-2-phenyl-1H-imidazole
CID 86068927
2-[4-(4-tert-butylphenyl)phenyl]-4,5-diphenyl-1H-imidazole
CID 102124708
2-(4-methylphenyl)-4-naphthalen-2-yl-5-phenyl-1H-imidazole;hydrochloride
CID 146051305

Frequently Asked Questions

What is the IUPAC name of 4-[4-[7-[2-(4-hydroxyphenyl)-4-phenyl-1H-imidazol-5-yl]dibenzofuran-3-yl]-5-phenyl-1H-imidazol-2-yl]phenol?
The IUPAC name of 4-[4-[7-[2-(4-hydroxyphenyl)-4-phenyl-1H-imidazol-5-yl]dibenzofuran-3-yl]-5-phenyl-1H-imidazol-2-yl]phenol (CID 135446515) is 4-[4-[7-[2-(4-hydroxyphenyl)-4-phenyl-1H-imidazol-5-yl]dibenzofuran-3-yl]-5-phenyl-1H-imidazol-2-yl]phenol.
What is the SMILES notation for 4-[4-[7-[2-(4-hydroxyphenyl)-4-phenyl-1H-imidazol-5-yl]dibenzofuran-3-yl]-5-phenyl-1H-imidazol-2-yl]phenol?
The canonical SMILES for 4-[4-[7-[2-(4-hydroxyphenyl)-4-phenyl-1H-imidazol-5-yl]dibenzofuran-3-yl]-5-phenyl-1H-imidazol-2-yl]phenol is Oc1ccc(-c2nc(-c3ccc4c(c3)oc3cc(-c5[nH]c(-c6ccc(O)cc6)nc5-c5ccccc5)ccc34)c(-c3ccccc3)[nH]2)cc1.
What is the InChIKey of 4-[4-[7-[2-(4-hydroxyphenyl)-4-phenyl-1H-imidazol-5-yl]dibenzofuran-3-yl]-5-phenyl-1H-imidazol-2-yl]phenol?
The InChIKey is VWIWNEUOJISTFW-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)29-15-21-33-34-22-16-30(24-36(34)49-35(33)23-29)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-[7-[2-(4-hydroxyphenyl)-4-phenyl-1H-imidazol-5-yl]dibenzofuran-3-yl]-5-phenyl-1H-imidazol-2-yl]phenol?
4-[4-[7-[2-(4-hydroxyphenyl)-4-phenyl-1H-imidazol-5-yl]dibenzofuran-3-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-[7-[2-(4-hydroxyphenyl)-4-phenyl-1H-imidazol-5-yl]dibenzofuran-3-yl]-5-phenyl-1H-imidazol-2-yl]phenol is sourced from PubChem (CID 135446515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).