5-[4-[4-(2,4-diphenyl-1H-imidazol-5-yl)phenyl]phenyl]-2,4-diphenyl-1H-imidazole

C42H30N4 — CID 3106607

IUPAC5-[4-[4-(2,4-diphenyl-1H-imidazol-5-yl)phenyl]phenyl]-2,4-diphenyl-1H-imidazole
SMILESc1ccc(-c2nc(-c3ccccc3)c(-c3ccc(-c4ccc(-c5[nH]c(-c6ccccc6)nc5-c5ccccc5)cc4)cc3)[nH]2)cc1
InChIInChI=1S/C42H30N4/c1-5-13-31(14-6-1)37-39(45-41(43-37)35-17-9-3-10-18-35)33-25-21-29(22-26-33)30-23-27-34(28-24-30)40-38(32-15-7-2-8-16-32)44-42(46-40)36-19-11-4-12-20-36/h1-28H,(H,43,45)(H,44,46)
InChIKeyAJYIWHBCSFMQCU-UHFFFAOYSA-N
MW590.73 g/mol
LogP10.80
Rot. Bonds7

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

5-[4-[4-(2,4-diphenyl-1H-imidazol-5-yl)phenyl]phenyl]-2,4-diphenyl-1H-imidazole (PubChem CID 3106607) has the molecular formula C42H30N4 and a molecular weight of 590.73 g/mol. Its IUPAC name is 5-[4-[4-(2,4-diphenyl-1H-imidazol-5-yl)phenyl]phenyl]-2,4-diphenyl-1H-imidazole.

Molecular Properties

Compound Name5-[4-[4-(2,4-diphenyl-1H-imidazol-5-yl)phenyl]phenyl]-2,4-diphenyl-1H-imidazole
PubChem CID3106607
Molecular FormulaC42H30N4
Molecular Weight590.73 g/mol
Exact Mass590.25
IUPAC Name5-[4-[4-(2,4-diphenyl-1H-imidazol-5-yl)phenyl]phenyl]-2,4-diphenyl-1H-imidazole
SMILESc1ccc(-c2nc(-c3ccccc3)c(-c3ccc(-c4ccc(-c5[nH]c(-c6ccccc6)nc5-c5ccccc5)cc4)cc3)[nH]2)cc1
InChIInChI=1S/C42H30N4/c1-5-13-31(14-6-1)37-39(45-41(43-37)35-17-9-3-10-18-35)33-25-21-29(22-26-33)30-23-27-34(28-24-30)40-38(32-15-7-2-8-16-32)44-42(46-40)36-19-11-4-12-20-36/h1-28H,(H,43,45)(H,44,46)
InChIKeyAJYIWHBCSFMQCU-UHFFFAOYSA-N
XLogP10.80
TPSA57.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500590.73
LogP ≤ 510.80
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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Related Compounds

4-phenyl-2,5-bis(4-phenylphenyl)-1H-imidazole
CID 134113623
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-(4-chlorophenyl)-2-phenyl-1H-imidazol-5-yl]pyridine
CID 10664282
4-(4-nitrophenyl)-2-[4-[4-(4-nitrophenyl)-5-phenyl-1H-imidazol-2-yl]phenyl]-5-phenyl-1H-imidazole
CID 135420019
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
4-(4-fluorophenyl)-2-phenyl-5-[4-(trifluoromethyl)phenyl]-1H-imidazole
CID 102333222
2-[4-[2-(2-methylphenyl)ethynyl]phenyl]-4,5-diphenyl-1H-imidazole
CID 177421589

Frequently Asked Questions

What is the IUPAC name of 5-[4-[4-(2,4-diphenyl-1H-imidazol-5-yl)phenyl]phenyl]-2,4-diphenyl-1H-imidazole?
The IUPAC name of 5-[4-[4-(2,4-diphenyl-1H-imidazol-5-yl)phenyl]phenyl]-2,4-diphenyl-1H-imidazole (CID 3106607) is 5-[4-[4-(2,4-diphenyl-1H-imidazol-5-yl)phenyl]phenyl]-2,4-diphenyl-1H-imidazole.
What is the SMILES notation for 5-[4-[4-(2,4-diphenyl-1H-imidazol-5-yl)phenyl]phenyl]-2,4-diphenyl-1H-imidazole?
The canonical SMILES for 5-[4-[4-(2,4-diphenyl-1H-imidazol-5-yl)phenyl]phenyl]-2,4-diphenyl-1H-imidazole is c1ccc(-c2nc(-c3ccccc3)c(-c3ccc(-c4ccc(-c5[nH]c(-c6ccccc6)nc5-c5ccccc5)cc4)cc3)[nH]2)cc1.
What is the InChIKey of 5-[4-[4-(2,4-diphenyl-1H-imidazol-5-yl)phenyl]phenyl]-2,4-diphenyl-1H-imidazole?
The InChIKey is AJYIWHBCSFMQCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H30N4/c1-5-13-31(14-6-1)37-39(45-41(43-37)35-17-9-3-10-18-35)33-25-21-29(22-26-33)30-23-27-34(28-24-30)40-38(32-15-7-2-8-16-32)44-42(46-40)36-19-11-4-12-20-36/h1-28H,(H,43,45)(H,44,46).
What are the key properties of 5-[4-[4-(2,4-diphenyl-1H-imidazol-5-yl)phenyl]phenyl]-2,4-diphenyl-1H-imidazole?
5-[4-[4-(2,4-diphenyl-1H-imidazol-5-yl)phenyl]phenyl]-2,4-diphenyl-1H-imidazole has a molecular weight of 590.73 g/mol, XLogP of 10.80, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-[4-(2,4-diphenyl-1H-imidazol-5-yl)phenyl]phenyl]-2,4-diphenyl-1H-imidazole is sourced from PubChem (CID 3106607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).