4-phenyl-2,5-bis(4-phenylphenyl)-1H-imidazole

C33H24N2 — CID 134113623

IUPAC4-phenyl-2,5-bis(4-phenylphenyl)-1H-imidazole
SMILESc1ccc(-c2ccc(-c3nc(-c4ccccc4)c(-c4ccc(-c5ccccc5)cc4)[nH]3)cc2)cc1
InChIInChI=1S/C33H24N2/c1-4-10-24(11-5-1)26-16-20-29(21-17-26)32-31(28-14-8-3-9-15-28)34-33(35-32)30-22-18-27(19-23-30)25-12-6-2-7-13-25/h1-23H,(H,34,35)
InChIKeyWJWKHHDEBKTOHA-UHFFFAOYSA-N
MW448.57 g/mol
LogP8.74
Rot. Bonds5

About 4-phenyl-2,5-bis(4-phenylphenyl)-1H-imidazole

4-phenyl-2,5-bis(4-phenylphenyl)-1H-imidazole (PubChem CID 134113623) has the molecular formula C33H24N2 and a molecular weight of 448.57 g/mol. Its IUPAC name is 4-phenyl-2,5-bis(4-phenylphenyl)-1H-imidazole.

Molecular Properties

Compound Name4-phenyl-2,5-bis(4-phenylphenyl)-1H-imidazole
PubChem CID134113623
Molecular FormulaC33H24N2
Molecular Weight448.57 g/mol
Exact Mass448.19
IUPAC Name4-phenyl-2,5-bis(4-phenylphenyl)-1H-imidazole
SMILESc1ccc(-c2ccc(-c3nc(-c4ccccc4)c(-c4ccc(-c5ccccc5)cc4)[nH]3)cc2)cc1
InChIInChI=1S/C33H24N2/c1-4-10-24(11-5-1)26-16-20-29(21-17-26)32-31(28-14-8-3-9-15-28)34-33(35-32)30-22-18-27(19-23-30)25-12-6-2-7-13-25/h1-23H,(H,34,35)
InChIKeyWJWKHHDEBKTOHA-UHFFFAOYSA-N
XLogP8.74
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500448.57
LogP ≤ 58.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

5-[4-[4-(2,4-diphenyl-1H-imidazol-5-yl)phenyl]phenyl]-2,4-diphenyl-1H-imidazole
CID 3106607
2-[4-(4-tert-butylphenyl)phenyl]-4,5-diphenyl-1H-imidazole
CID 102124708
4,5-bis[4-(4-methoxyphenyl)phenyl]-2-phenyl-1H-imidazole
CID 86068927
4-(4-methoxyphenyl)-2-[4-[4-(4-methoxyphenyl)-5-phenyl-1H-imidazol-2-yl]phenyl]-5-phenyl-1H-imidazole
CID 136591177
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
5-(4-bromophenyl)-2-(4-methylphenyl)-4-phenyl-1H-imidazole
CID 3106859
2-(3-iodophenyl)-4-[4-[2-(3-iodophenyl)-4-phenyl-1H-imidazol-5-yl]phenyl]-5-phenyl-1H-imidazole
CID 135398995
4-(4-nitrophenyl)-2-[4-[4-(4-nitrophenyl)-5-phenyl-1H-imidazol-2-yl]phenyl]-5-phenyl-1H-imidazole
CID 135420019
4-[4-(4-chlorophenyl)-2-phenyl-1H-imidazol-5-yl]pyridine
CID 10664282
4-(4-fluorophenyl)-2-phenyl-5-[4-(trifluoromethyl)phenyl]-1H-imidazole
CID 102333222
4-[4-[4-[4-[2-(4-carboxyphenyl)-5-phenyl-1H-imidazol-4-yl]benzoyl]phenyl]-5-phenyl-1H-imidazol-2-yl]benzoic acid
CID 135533952
2-[4-[2-(2-methylphenyl)ethynyl]phenyl]-4,5-diphenyl-1H-imidazole
CID 177421589

Frequently Asked Questions

What is the IUPAC name of 4-phenyl-2,5-bis(4-phenylphenyl)-1H-imidazole?
The IUPAC name of 4-phenyl-2,5-bis(4-phenylphenyl)-1H-imidazole (CID 134113623) is 4-phenyl-2,5-bis(4-phenylphenyl)-1H-imidazole.
What is the SMILES notation for 4-phenyl-2,5-bis(4-phenylphenyl)-1H-imidazole?
The canonical SMILES for 4-phenyl-2,5-bis(4-phenylphenyl)-1H-imidazole is c1ccc(-c2ccc(-c3nc(-c4ccccc4)c(-c4ccc(-c5ccccc5)cc4)[nH]3)cc2)cc1.
What is the InChIKey of 4-phenyl-2,5-bis(4-phenylphenyl)-1H-imidazole?
The InChIKey is WJWKHHDEBKTOHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H24N2/c1-4-10-24(11-5-1)26-16-20-29(21-17-26)32-31(28-14-8-3-9-15-28)34-33(35-32)30-22-18-27(19-23-30)25-12-6-2-7-13-25/h1-23H,(H,34,35).
What are the key properties of 4-phenyl-2,5-bis(4-phenylphenyl)-1H-imidazole?
4-phenyl-2,5-bis(4-phenylphenyl)-1H-imidazole has a molecular weight of 448.57 g/mol, XLogP of 8.74, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenyl-2,5-bis(4-phenylphenyl)-1H-imidazole is sourced from PubChem (CID 134113623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).