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

C36H24N6O4 — CID 135420019

IUPAC4-(4-nitrophenyl)-2-[4-[4-(4-nitrophenyl)-5-phenyl-1H-imidazol-2-yl]phenyl]-5-phenyl-1H-imidazole
SMILESO=[N+]([O-])c1ccc(-c2nc(-c3ccc(-c4nc(-c5ccc([N+](=O)[O-])cc5)c(-c5ccccc5)[nH]4)cc3)[nH]c2-c2ccccc2)cc1
InChIInChI=1S/C36H24N6O4/c43-41(44)29-19-15-25(16-20-29)33-31(23-7-3-1-4-8-23)37-35(39-33)27-11-13-28(14-12-27)36-38-32(24-9-5-2-6-10-24)34(40-36)26-17-21-30(22-18-26)42(45)46/h1-22H,(H,37,39)(H,38,40)
InChIKeyIHZAULOMKSKXSA-UHFFFAOYSA-N
MW604.63 g/mol
LogP8.95
Rot. Bonds8

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

4-(4-nitrophenyl)-2-[4-[4-(4-nitrophenyl)-5-phenyl-1H-imidazol-2-yl]phenyl]-5-phenyl-1H-imidazole (PubChem CID 135420019) has the molecular formula C36H24N6O4 and a molecular weight of 604.63 g/mol. Its IUPAC name is 4-(4-nitrophenyl)-2-[4-[4-(4-nitrophenyl)-5-phenyl-1H-imidazol-2-yl]phenyl]-5-phenyl-1H-imidazole.

Molecular Properties

Compound Name4-(4-nitrophenyl)-2-[4-[4-(4-nitrophenyl)-5-phenyl-1H-imidazol-2-yl]phenyl]-5-phenyl-1H-imidazole
PubChem CID135420019
Molecular FormulaC36H24N6O4
Molecular Weight604.63 g/mol
Exact Mass604.19
IUPAC Name4-(4-nitrophenyl)-2-[4-[4-(4-nitrophenyl)-5-phenyl-1H-imidazol-2-yl]phenyl]-5-phenyl-1H-imidazole
SMILESO=[N+]([O-])c1ccc(-c2nc(-c3ccc(-c4nc(-c5ccc([N+](=O)[O-])cc5)c(-c5ccccc5)[nH]4)cc3)[nH]c2-c2ccccc2)cc1
InChIInChI=1S/C36H24N6O4/c43-41(44)29-19-15-25(16-20-29)33-31(23-7-3-1-4-8-23)37-35(39-33)27-11-13-28(14-12-27)36-38-32(24-9-5-2-6-10-24)34(40-36)26-17-21-30(22-18-26)42(45)46/h1-22H,(H,37,39)(H,38,40)
InChIKeyIHZAULOMKSKXSA-UHFFFAOYSA-N
XLogP8.95
TPSA143.64 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500604.63
LogP ≤ 58.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

methanol;bis(2-(4-nitrophenyl)-4,5-diphenyl-1H-imidazole)
CID 139060721
4,5-bis(4-iodophenyl)-2-(4-nitrophenyl)-1H-imidazole
CID 177443254
4,5-bis(4-chlorophenyl)-2-(4-nitrophenyl)-1H-imidazole
CID 2832814
4-[4,5-bis(4-nitrophenyl)-1H-imidazol-2-yl]aniline
CID 141021158
4-[4-(4-aminophenyl)-2-[4-[4,5-bis(4-nitrophenyl)-1H-imidazol-2-yl]phenyl]-1H-imidazol-5-yl]aniline
CID 101105768
3-[5-(4-nitrophenyl)-4-phenyl-1H-imidazol-2-yl]-1H-indole
CID 3106829
2-(10-chloroanthracen-9-yl)-5-[4-(4-nitrophenyl)phenyl]-4-phenyl-1H-imidazole
CID 3568326
4-[4-(4-fluorophenyl)-2-(4-nitrophenyl)-1H-imidazol-5-yl]pyridine
CID 4712
4-phenyl-2,5-bis(4-phenylphenyl)-1H-imidazole
CID 134113623
5-[4-[4-(2,4-diphenyl-1H-imidazol-5-yl)phenyl]phenyl]-2,4-diphenyl-1H-imidazole
CID 3106607
4-[4-(4-aminophenyl)-2-[4-[(4-nitrophenyl)diazenyl]phenyl]-1H-imidazol-5-yl]aniline
CID 102466776
4-[4-[4-[4-[2-(4-carboxyphenyl)-4-(4-nitrophenyl)-1H-imidazol-5-yl]phenoxy]phenyl]-5-(4-nitrophenyl)-1H-imidazol-2-yl]benzoic acid
CID 135645773

Frequently Asked Questions

What is the IUPAC name of 4-(4-nitrophenyl)-2-[4-[4-(4-nitrophenyl)-5-phenyl-1H-imidazol-2-yl]phenyl]-5-phenyl-1H-imidazole?
The IUPAC name of 4-(4-nitrophenyl)-2-[4-[4-(4-nitrophenyl)-5-phenyl-1H-imidazol-2-yl]phenyl]-5-phenyl-1H-imidazole (CID 135420019) is 4-(4-nitrophenyl)-2-[4-[4-(4-nitrophenyl)-5-phenyl-1H-imidazol-2-yl]phenyl]-5-phenyl-1H-imidazole.
What is the SMILES notation for 4-(4-nitrophenyl)-2-[4-[4-(4-nitrophenyl)-5-phenyl-1H-imidazol-2-yl]phenyl]-5-phenyl-1H-imidazole?
The canonical SMILES for 4-(4-nitrophenyl)-2-[4-[4-(4-nitrophenyl)-5-phenyl-1H-imidazol-2-yl]phenyl]-5-phenyl-1H-imidazole is O=[N+]([O-])c1ccc(-c2nc(-c3ccc(-c4nc(-c5ccc([N+](=O)[O-])cc5)c(-c5ccccc5)[nH]4)cc3)[nH]c2-c2ccccc2)cc1.
What is the InChIKey of 4-(4-nitrophenyl)-2-[4-[4-(4-nitrophenyl)-5-phenyl-1H-imidazol-2-yl]phenyl]-5-phenyl-1H-imidazole?
The InChIKey is IHZAULOMKSKXSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H24N6O4/c43-41(44)29-19-15-25(16-20-29)33-31(23-7-3-1-4-8-23)37-35(39-33)27-11-13-28(14-12-27)36-38-32(24-9-5-2-6-10-24)34(40-36)26-17-21-30(22-18-26)42(45)46/h1-22H,(H,37,39)(H,38,40).
What are the key properties of 4-(4-nitrophenyl)-2-[4-[4-(4-nitrophenyl)-5-phenyl-1H-imidazol-2-yl]phenyl]-5-phenyl-1H-imidazole?
4-(4-nitrophenyl)-2-[4-[4-(4-nitrophenyl)-5-phenyl-1H-imidazol-2-yl]phenyl]-5-phenyl-1H-imidazole has a molecular weight of 604.63 g/mol, XLogP of 8.95, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-nitrophenyl)-2-[4-[4-(4-nitrophenyl)-5-phenyl-1H-imidazol-2-yl]phenyl]-5-phenyl-1H-imidazole is sourced from PubChem (CID 135420019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).