3-[4,5-bis(4-phenylphenyl)-1H-imidazol-2-yl]phenol

C33H24N2O — CID 2259222

IUPAC3-[4,5-bis(4-phenylphenyl)-1H-imidazol-2-yl]phenol
SMILESOc1cccc(-c2nc(-c3ccc(-c4ccccc4)cc3)c(-c3ccc(-c4ccccc4)cc3)[nH]2)c1
InChIInChI=1S/C33H24N2O/c36-30-13-7-12-29(22-30)33-34-31(27-18-14-25(15-19-27)23-8-3-1-4-9-23)32(35-33)28-20-16-26(17-21-28)24-10-5-2-6-11-24/h1-22,36H,(H,34,35)
InChIKeyJTVSGRFYVCXWNC-UHFFFAOYSA-N
MW464.57 g/mol
LogP8.45
Rot. Bonds5

About 3-[4,5-bis(4-phenylphenyl)-1H-imidazol-2-yl]phenol

3-[4,5-bis(4-phenylphenyl)-1H-imidazol-2-yl]phenol (PubChem CID 2259222) has the molecular formula C33H24N2O and a molecular weight of 464.57 g/mol. Its IUPAC name is 3-[4,5-bis(4-phenylphenyl)-1H-imidazol-2-yl]phenol.

Molecular Properties

Compound Name3-[4,5-bis(4-phenylphenyl)-1H-imidazol-2-yl]phenol
PubChem CID2259222
Molecular FormulaC33H24N2O
Molecular Weight464.57 g/mol
Exact Mass464.19
IUPAC Name3-[4,5-bis(4-phenylphenyl)-1H-imidazol-2-yl]phenol
SMILESOc1cccc(-c2nc(-c3ccc(-c4ccccc4)cc3)c(-c3ccc(-c4ccccc4)cc3)[nH]2)c1
InChIInChI=1S/C33H24N2O/c36-30-13-7-12-29(22-30)33-34-31(27-18-14-25(15-19-27)23-8-3-1-4-9-23)32(35-33)28-20-16-26(17-21-28)24-10-5-2-6-11-24/h1-22,36H,(H,34,35)
InChIKeyJTVSGRFYVCXWNC-UHFFFAOYSA-N
XLogP8.45
TPSA48.91 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500464.57
LogP ≤ 58.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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-[4,5-bis(4-phenylphenyl)-1H-imidazol-2-yl]phenol?
The IUPAC name of 3-[4,5-bis(4-phenylphenyl)-1H-imidazol-2-yl]phenol (CID 2259222) is 3-[4,5-bis(4-phenylphenyl)-1H-imidazol-2-yl]phenol.
What is the SMILES notation for 3-[4,5-bis(4-phenylphenyl)-1H-imidazol-2-yl]phenol?
The canonical SMILES for 3-[4,5-bis(4-phenylphenyl)-1H-imidazol-2-yl]phenol is Oc1cccc(-c2nc(-c3ccc(-c4ccccc4)cc3)c(-c3ccc(-c4ccccc4)cc3)[nH]2)c1.
What is the InChIKey of 3-[4,5-bis(4-phenylphenyl)-1H-imidazol-2-yl]phenol?
The InChIKey is JTVSGRFYVCXWNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H24N2O/c36-30-13-7-12-29(22-30)33-34-31(27-18-14-25(15-19-27)23-8-3-1-4-9-23)32(35-33)28-20-16-26(17-21-28)24-10-5-2-6-11-24/h1-22,36H,(H,34,35).
What are the key properties of 3-[4,5-bis(4-phenylphenyl)-1H-imidazol-2-yl]phenol?
3-[4,5-bis(4-phenylphenyl)-1H-imidazol-2-yl]phenol has a molecular weight of 464.57 g/mol, XLogP of 8.45, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4,5-bis(4-phenylphenyl)-1H-imidazol-2-yl]phenol is sourced from PubChem (CID 2259222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).