2-(10-chloroanthracen-9-yl)-5-[4-(4-nitrophenyl)phenyl]-4-phenyl-1H-imidazole

C35H22ClN3O2 — CID 3568326

IUPAC2-(10-chloroanthracen-9-yl)-5-[4-(4-nitrophenyl)phenyl]-4-phenyl-1H-imidazole
SMILESO=[N+]([O-])c1ccc(-c2ccc(-c3[nH]c(-c4c5ccccc5c(Cl)c5ccccc45)nc3-c3ccccc3)cc2)cc1
InChIInChI=1S/C35H22ClN3O2/c36-32-29-12-6-4-10-27(29)31(28-11-5-7-13-30(28)32)35-37-33(24-8-2-1-3-9-24)34(38-35)25-16-14-22(15-17-25)23-18-20-26(21-19-23)39(40)41/h1-21H,(H,37,38)
InChIKeyWGNOLVFAOUAEST-UHFFFAOYSA-N
MW552.03 g/mol
LogP9.95
Rot. Bonds5

About 2-(10-chloroanthracen-9-yl)-5-[4-(4-nitrophenyl)phenyl]-4-phenyl-1H-imidazole

2-(10-chloroanthracen-9-yl)-5-[4-(4-nitrophenyl)phenyl]-4-phenyl-1H-imidazole (PubChem CID 3568326) has the molecular formula C35H22ClN3O2 and a molecular weight of 552.03 g/mol. Its IUPAC name is 2-(10-chloroanthracen-9-yl)-5-[4-(4-nitrophenyl)phenyl]-4-phenyl-1H-imidazole.

Molecular Properties

Compound Name2-(10-chloroanthracen-9-yl)-5-[4-(4-nitrophenyl)phenyl]-4-phenyl-1H-imidazole
PubChem CID3568326
Molecular FormulaC35H22ClN3O2
Molecular Weight552.03 g/mol
Exact Mass551.14
IUPAC Name2-(10-chloroanthracen-9-yl)-5-[4-(4-nitrophenyl)phenyl]-4-phenyl-1H-imidazole
SMILESO=[N+]([O-])c1ccc(-c2ccc(-c3[nH]c(-c4c5ccccc5c(Cl)c5ccccc45)nc3-c3ccccc3)cc2)cc1
InChIInChI=1S/C35H22ClN3O2/c36-32-29-12-6-4-10-27(29)31(28-11-5-7-13-30(28)32)35-37-33(24-8-2-1-3-9-24)34(38-35)25-16-14-22(15-17-25)23-18-20-26(21-19-23)39(40)41/h1-21H,(H,37,38)
InChIKeyWGNOLVFAOUAEST-UHFFFAOYSA-N
XLogP9.95
TPSA71.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500552.03
LogP ≤ 59.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Related Compounds

4-(4-nitrophenyl)-2-[4-[4-(4-nitrophenyl)-5-phenyl-1H-imidazol-2-yl]phenyl]-5-phenyl-1H-imidazole
CID 135420019
3-[5-(4-nitrophenyl)-4-phenyl-1H-imidazol-2-yl]-1H-indole
CID 3106829
methanol;bis(2-(4-nitrophenyl)-4,5-diphenyl-1H-imidazole)
CID 139060721
4,5-bis(4-chlorophenyl)-2-(4-nitrophenyl)-1H-imidazole
CID 2832814
1-methyl-3-[5-(4-nitrophenyl)-4-phenyl-1H-imidazol-2-yl]indole
CID 1016389
5-methyl-3-[5-(4-nitrophenyl)-4-phenyl-1H-imidazol-2-yl]-1H-indole
CID 71103102
4,5-bis(4-iodophenyl)-2-(4-nitrophenyl)-1H-imidazole
CID 177443254
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
5-bromo-3-[5-(4-bromophenyl)-4-phenyl-1H-imidazol-2-yl]-1H-indole;5-bromo-3-[5-(4-chlorophenyl)-4-phenyl-1H-imidazol-2-yl]-1H-indole;3-[5-(4-bromophenyl)-4-phenyl-1H-imidazol-2-yl]-2-methyl-1H-indole;2-methyl-3-[5-(4-nitrophenyl)-4-phenyl-1H-imidazol-2-yl]-1H-indole
CID 159592652
5-(4-chlorophenyl)-2-(2-nitrophenyl)-4-phenyl-1H-imidazole
CID 1355364
4-phenyl-2,5-bis(4-phenylphenyl)-1H-imidazole
CID 134113623

Frequently Asked Questions

What is the IUPAC name of 2-(10-chloroanthracen-9-yl)-5-[4-(4-nitrophenyl)phenyl]-4-phenyl-1H-imidazole?
The IUPAC name of 2-(10-chloroanthracen-9-yl)-5-[4-(4-nitrophenyl)phenyl]-4-phenyl-1H-imidazole (CID 3568326) is 2-(10-chloroanthracen-9-yl)-5-[4-(4-nitrophenyl)phenyl]-4-phenyl-1H-imidazole.
What is the SMILES notation for 2-(10-chloroanthracen-9-yl)-5-[4-(4-nitrophenyl)phenyl]-4-phenyl-1H-imidazole?
The canonical SMILES for 2-(10-chloroanthracen-9-yl)-5-[4-(4-nitrophenyl)phenyl]-4-phenyl-1H-imidazole is O=[N+]([O-])c1ccc(-c2ccc(-c3[nH]c(-c4c5ccccc5c(Cl)c5ccccc45)nc3-c3ccccc3)cc2)cc1.
What is the InChIKey of 2-(10-chloroanthracen-9-yl)-5-[4-(4-nitrophenyl)phenyl]-4-phenyl-1H-imidazole?
The InChIKey is WGNOLVFAOUAEST-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H22ClN3O2/c36-32-29-12-6-4-10-27(29)31(28-11-5-7-13-30(28)32)35-37-33(24-8-2-1-3-9-24)34(38-35)25-16-14-22(15-17-25)23-18-20-26(21-19-23)39(40)41/h1-21H,(H,37,38).
What are the key properties of 2-(10-chloroanthracen-9-yl)-5-[4-(4-nitrophenyl)phenyl]-4-phenyl-1H-imidazole?
2-(10-chloroanthracen-9-yl)-5-[4-(4-nitrophenyl)phenyl]-4-phenyl-1H-imidazole has a molecular weight of 552.03 g/mol, XLogP of 9.95, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(10-chloroanthracen-9-yl)-5-[4-(4-nitrophenyl)phenyl]-4-phenyl-1H-imidazole is sourced from PubChem (CID 3568326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).