4-[2,4-bis(4,5-diphenyl-1H-imidazol-2-yl)-5-(4-hydroxyphenyl)phenyl]phenol

C48H34N4O2 — CID 137287737

IUPAC4-[2,4-bis(4,5-diphenyl-1H-imidazol-2-yl)-5-(4-hydroxyphenyl)phenyl]phenol
SMILESOc1ccc(-c2cc(-c3ccc(O)cc3)c(-c3nc(-c4ccccc4)c(-c4ccccc4)[nH]3)cc2-c2nc(-c3ccccc3)c(-c3ccccc3)[nH]2)cc1
InChIInChI=1S/C48H34N4O2/c53-37-25-21-31(22-26-37)39-29-40(32-23-27-38(54)28-24-32)42(48-51-45(35-17-9-3-10-18-35)46(52-48)36-19-11-4-12-20-36)30-41(39)47-49-43(33-13-5-1-6-14-33)44(50-47)34-15-7-2-8-16-34/h1-30,53-54H,(H,49,50)(H,51,52)
InChIKeyZWTCXUHMUUTPIL-UHFFFAOYSA-N
MW698.83 g/mol
LogP11.88
Rot. Bonds8

About 4-[2,4-bis(4,5-diphenyl-1H-imidazol-2-yl)-5-(4-hydroxyphenyl)phenyl]phenol

4-[2,4-bis(4,5-diphenyl-1H-imidazol-2-yl)-5-(4-hydroxyphenyl)phenyl]phenol (PubChem CID 137287737) has the molecular formula C48H34N4O2 and a molecular weight of 698.83 g/mol. Its IUPAC name is 4-[2,4-bis(4,5-diphenyl-1H-imidazol-2-yl)-5-(4-hydroxyphenyl)phenyl]phenol.

Molecular Properties

Compound Name4-[2,4-bis(4,5-diphenyl-1H-imidazol-2-yl)-5-(4-hydroxyphenyl)phenyl]phenol
PubChem CID137287737
Molecular FormulaC48H34N4O2
Molecular Weight698.83 g/mol
Exact Mass698.27
IUPAC Name4-[2,4-bis(4,5-diphenyl-1H-imidazol-2-yl)-5-(4-hydroxyphenyl)phenyl]phenol
SMILESOc1ccc(-c2cc(-c3ccc(O)cc3)c(-c3nc(-c4ccccc4)c(-c4ccccc4)[nH]3)cc2-c2nc(-c3ccccc3)c(-c3ccccc3)[nH]2)cc1
InChIInChI=1S/C48H34N4O2/c53-37-25-21-31(22-26-37)39-29-40(32-23-27-38(54)28-24-32)42(48-51-45(35-17-9-3-10-18-35)46(52-48)36-19-11-4-12-20-36)30-41(39)47-49-43(33-13-5-1-6-14-33)44(50-47)34-15-7-2-8-16-34/h1-30,53-54H,(H,49,50)(H,51,52)
InChIKeyZWTCXUHMUUTPIL-UHFFFAOYSA-N
XLogP11.88
TPSA97.82 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500698.83
LogP ≤ 511.88
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(4,5-diphenyl-1H-imidazol-2-yl)-Phenol
CID 314542
4-(4,5-Diphenyl-1H-imidazol-2-yl)phenol (for Biochemical Research)
CID 352144
3-[4,5-bis({[1,1'-biphenyl]-4-yl})-1H-imidazol-2-yl]phenol
CID 2259222
3-[5-[4-[4-[2-(3-hydroxyphenyl)-4-phenyl-1H-imidazol-5-yl]phenoxy]phenyl]-4-phenyl-1H-imidazol-2-yl]phenol
CID 3123811
3-(4,5-diphenyl-1H-imidazol-2-yl)phenol
CID 352145
2-(4,5-dimethyl-1H-imidazol-2-yl)-4-(2,6-dimethylphenyl)phenol
CID 136066111
4-[4-[4-(6-methyl-1H-benzimidazol-2-yl)phenyl]phenyl]phenol
CID 136098543
3-[5-[4-[2-(3-hydroxyphenyl)-5-(3-iodophenyl)-1H-imidazol-4-yl]phenyl]-4-(3-iodophenyl)-1H-imidazol-2-yl]phenol
CID 135495689
2-[5-(4-hydroxyphenyl)-4-phenyl-1H-imidazol-2-yl]phenol
CID 887020
3-[5-[4-[2-(3-hydroxyphenyl)-4-(3-iodophenyl)-1H-imidazol-5-yl]phenyl]-4-(3-iodophenyl)-1H-imidazol-2-yl]phenol
CID 3106623
4-[4-[4-(1H-benzimidazol-2-yl)phenyl]phenyl]phenol
CID 136098582
2-(4-methoxyphenyl)-5-{4-[2-(4-methoxyphenyl)-5-phenyl-1H-imidazol-4-yl]phenyl}-4-phenyl-1H-imidazole
CID 135416607

Frequently Asked Questions

What is the IUPAC name of 4-[2,4-bis(4,5-diphenyl-1H-imidazol-2-yl)-5-(4-hydroxyphenyl)phenyl]phenol?
The IUPAC name of 4-[2,4-bis(4,5-diphenyl-1H-imidazol-2-yl)-5-(4-hydroxyphenyl)phenyl]phenol (CID 137287737) is 4-[2,4-bis(4,5-diphenyl-1H-imidazol-2-yl)-5-(4-hydroxyphenyl)phenyl]phenol.
What is the SMILES notation for 4-[2,4-bis(4,5-diphenyl-1H-imidazol-2-yl)-5-(4-hydroxyphenyl)phenyl]phenol?
The canonical SMILES for 4-[2,4-bis(4,5-diphenyl-1H-imidazol-2-yl)-5-(4-hydroxyphenyl)phenyl]phenol is Oc1ccc(-c2cc(-c3ccc(O)cc3)c(-c3nc(-c4ccccc4)c(-c4ccccc4)[nH]3)cc2-c2nc(-c3ccccc3)c(-c3ccccc3)[nH]2)cc1.
What is the InChIKey of 4-[2,4-bis(4,5-diphenyl-1H-imidazol-2-yl)-5-(4-hydroxyphenyl)phenyl]phenol?
The InChIKey is ZWTCXUHMUUTPIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H34N4O2/c53-37-25-21-31(22-26-37)39-29-40(32-23-27-38(54)28-24-32)42(48-51-45(35-17-9-3-10-18-35)46(52-48)36-19-11-4-12-20-36)30-41(39)47-49-43(33-13-5-1-6-14-33)44(50-47)34-15-7-2-8-16-34/h1-30,53-54H,(H,49,50)(H,51,52).
What are the key properties of 4-[2,4-bis(4,5-diphenyl-1H-imidazol-2-yl)-5-(4-hydroxyphenyl)phenyl]phenol?
4-[2,4-bis(4,5-diphenyl-1H-imidazol-2-yl)-5-(4-hydroxyphenyl)phenyl]phenol has a molecular weight of 698.83 g/mol, XLogP of 11.88, 8 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2,4-bis(4,5-diphenyl-1H-imidazol-2-yl)-5-(4-hydroxyphenyl)phenyl]phenol is sourced from PubChem (CID 137287737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).