1-(2,6-dimethylphenyl)-2-[4-[[3-[[3-[1-(2,6-dimethylphenyl)imidazol-2-yl]phenoxy]methyl]-5-[[4-[1-(2,6-dimethylphenyl)imidazol-2-yl]phenoxy]methyl]phenyl]methoxy]phenyl]imidazole

C60H54N6O3 — CID 58059176

IUPAC1-(2,6-dimethylphenyl)-2-[4-[[3-[[3-[1-(2,6-dimethylphenyl)imidazol-2-yl]phenoxy]methyl]-5-[[4-[1-(2,6-dimethylphenyl)imidazol-2-yl]phenoxy]methyl]phenyl]methoxy]phenyl]imidazole
SMILESCc1cccc(C)c1-n1ccnc1-c1ccc(OCc2cc(COc3ccc(-c4nccn4-c4c(C)cccc4C)cc3)cc(COc3cccc(-c4nccn4-c4c(C)cccc4C)c3)c2)cc1
InChIInChI=1S/C60H54N6O3/c1-40-11-7-12-41(2)55(40)64-30-27-61-58(64)49-19-23-52(24-20-49)67-37-46-33-47(38-68-53-25-21-50(22-26-53)59-62-28-31-65(59)56-42(3)13-8-14-43(56)4)35-48(34-46)39-69-54-18-10-17-51(36-54)60-63-29-32-66(60)57-44(5)15-9-16-45(57)6/h7-36H,37-39H2,1-6H3
InChIKeyDNNBCZOBJSAKST-UHFFFAOYSA-N
MW907.13 g/mol
LogP13.83
Rot. Bonds15

About 1-(2,6-dimethylphenyl)-2-[4-[[3-[[3-[1-(2,6-dimethylphenyl)imidazol-2-yl]phenoxy]methyl]-5-[[4-[1-(2,6-dimethylphenyl)imidazol-2-yl]phenoxy]methyl]phenyl]methoxy]phenyl]imidazole

1-(2,6-dimethylphenyl)-2-[4-[[3-[[3-[1-(2,6-dimethylphenyl)imidazol-2-yl]phenoxy]methyl]-5-[[4-[1-(2,6-dimethylphenyl)imidazol-2-yl]phenoxy]methyl]phenyl]methoxy]phenyl]imidazole (PubChem CID 58059176) has the molecular formula C60H54N6O3 and a molecular weight of 907.13 g/mol. Its IUPAC name is 1-(2,6-dimethylphenyl)-2-[4-[[3-[[3-[1-(2,6-dimethylphenyl)imidazol-2-yl]phenoxy]methyl]-5-[[4-[1-(2,6-dimethylphenyl)imidazol-2-yl]phenoxy]methyl]phenyl]methoxy]phenyl]imidazole.

Molecular Properties

Compound Name1-(2,6-dimethylphenyl)-2-[4-[[3-[[3-[1-(2,6-dimethylphenyl)imidazol-2-yl]phenoxy]methyl]-5-[[4-[1-(2,6-dimethylphenyl)imidazol-2-yl]phenoxy]methyl]phenyl]methoxy]phenyl]imidazole
PubChem CID58059176
Molecular FormulaC60H54N6O3
Molecular Weight907.13 g/mol
Exact Mass906.43
IUPAC Name1-(2,6-dimethylphenyl)-2-[4-[[3-[[3-[1-(2,6-dimethylphenyl)imidazol-2-yl]phenoxy]methyl]-5-[[4-[1-(2,6-dimethylphenyl)imidazol-2-yl]phenoxy]methyl]phenyl]methoxy]phenyl]imidazole
SMILESCc1cccc(C)c1-n1ccnc1-c1ccc(OCc2cc(COc3ccc(-c4nccn4-c4c(C)cccc4C)cc3)cc(COc3cccc(-c4nccn4-c4c(C)cccc4C)c3)c2)cc1
InChIInChI=1S/C60H54N6O3/c1-40-11-7-12-41(2)55(40)64-30-27-61-58(64)49-19-23-52(24-20-49)67-37-46-33-47(38-68-53-25-21-50(22-26-53)59-62-28-31-65(59)56-42(3)13-8-14-43(56)4)35-48(34-46)39-69-54-18-10-17-51(36-54)60-63-29-32-66(60)57-44(5)15-9-16-45(57)6/h7-36H,37-39H2,1-6H3
InChIKeyDNNBCZOBJSAKST-UHFFFAOYSA-N
XLogP13.83
TPSA81.15 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds15
Heavy Atoms69
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500907.13
LogP ≤ 513.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Analyze 1-(2,6-dimethylphenyl)-2-[4-[[3-[[3-[1-(2,6-dimethylphenyl)imidazol-2-yl]phenoxy]methyl]-5-[[4-[1-(2,6-dimethylphenyl)imidazol-2-yl]phenoxy]methyl]phenyl]methoxy]phenyl]imidazole with MolForge

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Related Compounds

1-[2-methyl-6-(trideuteriomethyl)phenyl]-2-phenylimidazole
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[3-[1-[4-(ethoxymethyl)-2,6-dimethylphenyl]imidazol-2-yl]phenyl]-bis(2,4,6-trimethylphenyl)borane
CID 140712823
1-[2,6-di(propan-2-yl)phenyl]-2-[3-[3-[1-[4-[4-(2-phenylimidazol-1-yl)-3,5-di(propan-2-yl)phenyl]-2,6-di(propan-2-yl)phenyl]imidazol-2-yl]phenoxy]phenyl]imidazole
CID 140803144
2-[2-(3-phenylmethoxyphenyl)imidazol-1-yl]ethanol
CID 56746066
3-[1-[4-(2,2-dimethylpropyl)-2,6-dimethylphenyl]imidazol-2-yl]pyridine
CID 140811429
1-methyl-4-phenoxybenzene;4-[(3-methylphenoxy)methyl]pyridine;1-methyl-4-phenylbenzene
CID 158309551
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CID 140803188
1,3-dimethyl-5-[(3-methylphenoxy)methyl]benzene
CID 60644540
1-bromo-2-(3-methoxyphenyl)imidazole
CID 175313145
2-methyl-5-(3-phenylmethoxyphenyl)phenol
CID 53219180
1-[3-[3-[1-[2,6-di(propan-2-yl)phenyl]imidazol-2-yl]phenoxy]phenyl]isoquinoline;3-isoquinolin-1-ylphenol
CID 175033695

Frequently Asked Questions

What is the IUPAC name of 1-(2,6-dimethylphenyl)-2-[4-[[3-[[3-[1-(2,6-dimethylphenyl)imidazol-2-yl]phenoxy]methyl]-5-[[4-[1-(2,6-dimethylphenyl)imidazol-2-yl]phenoxy]methyl]phenyl]methoxy]phenyl]imidazole?
The IUPAC name of 1-(2,6-dimethylphenyl)-2-[4-[[3-[[3-[1-(2,6-dimethylphenyl)imidazol-2-yl]phenoxy]methyl]-5-[[4-[1-(2,6-dimethylphenyl)imidazol-2-yl]phenoxy]methyl]phenyl]methoxy]phenyl]imidazole (CID 58059176) is 1-(2,6-dimethylphenyl)-2-[4-[[3-[[3-[1-(2,6-dimethylphenyl)imidazol-2-yl]phenoxy]methyl]-5-[[4-[1-(2,6-dimethylphenyl)imidazol-2-yl]phenoxy]methyl]phenyl]methoxy]phenyl]imidazole.
What is the SMILES notation for 1-(2,6-dimethylphenyl)-2-[4-[[3-[[3-[1-(2,6-dimethylphenyl)imidazol-2-yl]phenoxy]methyl]-5-[[4-[1-(2,6-dimethylphenyl)imidazol-2-yl]phenoxy]methyl]phenyl]methoxy]phenyl]imidazole?
The canonical SMILES for 1-(2,6-dimethylphenyl)-2-[4-[[3-[[3-[1-(2,6-dimethylphenyl)imidazol-2-yl]phenoxy]methyl]-5-[[4-[1-(2,6-dimethylphenyl)imidazol-2-yl]phenoxy]methyl]phenyl]methoxy]phenyl]imidazole is Cc1cccc(C)c1-n1ccnc1-c1ccc(OCc2cc(COc3ccc(-c4nccn4-c4c(C)cccc4C)cc3)cc(COc3cccc(-c4nccn4-c4c(C)cccc4C)c3)c2)cc1.
What is the InChIKey of 1-(2,6-dimethylphenyl)-2-[4-[[3-[[3-[1-(2,6-dimethylphenyl)imidazol-2-yl]phenoxy]methyl]-5-[[4-[1-(2,6-dimethylphenyl)imidazol-2-yl]phenoxy]methyl]phenyl]methoxy]phenyl]imidazole?
The InChIKey is DNNBCZOBJSAKST-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H54N6O3/c1-40-11-7-12-41(2)55(40)64-30-27-61-58(64)49-19-23-52(24-20-49)67-37-46-33-47(38-68-53-25-21-50(22-26-53)59-62-28-31-65(59)56-42(3)13-8-14-43(56)4)35-48(34-46)39-69-54-18-10-17-51(36-54)60-63-29-32-66(60)57-44(5)15-9-16-45(57)6/h7-36H,37-39H2,1-6H3.
What are the key properties of 1-(2,6-dimethylphenyl)-2-[4-[[3-[[3-[1-(2,6-dimethylphenyl)imidazol-2-yl]phenoxy]methyl]-5-[[4-[1-(2,6-dimethylphenyl)imidazol-2-yl]phenoxy]methyl]phenyl]methoxy]phenyl]imidazole?
1-(2,6-dimethylphenyl)-2-[4-[[3-[[3-[1-(2,6-dimethylphenyl)imidazol-2-yl]phenoxy]methyl]-5-[[4-[1-(2,6-dimethylphenyl)imidazol-2-yl]phenoxy]methyl]phenyl]methoxy]phenyl]imidazole has a molecular weight of 907.13 g/mol, XLogP of 13.83, 15 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-dimethylphenyl)-2-[4-[[3-[[3-[1-(2,6-dimethylphenyl)imidazol-2-yl]phenoxy]methyl]-5-[[4-[1-(2,6-dimethylphenyl)imidazol-2-yl]phenoxy]methyl]phenyl]methoxy]phenyl]imidazole is sourced from PubChem (CID 58059176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).