1-(2,6-dibenzhydryl-4-methoxyphenyl)-3-(2,6-dibenzhydryl-4-methylphenyl)-2H-imidazole

C69H58N2O — CID 158181373

IUPAC1-(2,6-dibenzhydryl-4-methoxyphenyl)-3-(2,6-dibenzhydryl-4-methylphenyl)-2H-imidazole
SMILESCOc1cc(C(c2ccccc2)c2ccccc2)c(N2C=CN(c3c(C(c4ccccc4)c4ccccc4)cc(C)cc3C(c3ccccc3)c3ccccc3)C2)c(C(c2ccccc2)c2ccccc2)c1
InChIInChI=1S/C69H58N2O/c1-50-45-60(64(51-27-11-3-12-28-51)52-29-13-4-14-30-52)68(61(46-50)65(53-31-15-5-16-32-53)54-33-17-6-18-34-54)70-43-44-71(49-70)69-62(66(55-35-19-7-20-36-55)56-37-21-8-22-38-56)47-59(72-2)48-63(69)67(57-39-23-9-24-40-57)58-41-25-10-26-42-58/h3-48,64-67H,49H2,1-2H3
InChIKeyANZJVTOAIBXROS-UHFFFAOYSA-N
MW931.24 g/mol
LogP16.48
Rot. Bonds15

About 1-(2,6-dibenzhydryl-4-methoxyphenyl)-3-(2,6-dibenzhydryl-4-methylphenyl)-2H-imidazole

1-(2,6-dibenzhydryl-4-methoxyphenyl)-3-(2,6-dibenzhydryl-4-methylphenyl)-2H-imidazole (PubChem CID 158181373) has the molecular formula C69H58N2O and a molecular weight of 931.24 g/mol. Its IUPAC name is 1-(2,6-dibenzhydryl-4-methoxyphenyl)-3-(2,6-dibenzhydryl-4-methylphenyl)-2H-imidazole.

Molecular Properties

Compound Name1-(2,6-dibenzhydryl-4-methoxyphenyl)-3-(2,6-dibenzhydryl-4-methylphenyl)-2H-imidazole
PubChem CID158181373
Molecular FormulaC69H58N2O
Molecular Weight931.24 g/mol
Exact Mass930.45
IUPAC Name1-(2,6-dibenzhydryl-4-methoxyphenyl)-3-(2,6-dibenzhydryl-4-methylphenyl)-2H-imidazole
SMILESCOc1cc(C(c2ccccc2)c2ccccc2)c(N2C=CN(c3c(C(c4ccccc4)c4ccccc4)cc(C)cc3C(c3ccccc3)c3ccccc3)C2)c(C(c2ccccc2)c2ccccc2)c1
InChIInChI=1S/C69H58N2O/c1-50-45-60(64(51-27-11-3-12-28-51)52-29-13-4-14-30-52)68(61(46-50)65(53-31-15-5-16-32-53)54-33-17-6-18-34-54)70-43-44-71(49-70)69-62(66(55-35-19-7-20-36-55)56-37-21-8-22-38-56)47-59(72-2)48-63(69)67(57-39-23-9-24-40-57)58-41-25-10-26-42-58/h3-48,64-67H,49H2,1-2H3
InChIKeyANZJVTOAIBXROS-UHFFFAOYSA-N
XLogP16.48
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds15
Heavy Atoms72
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500931.24
LogP ≤ 516.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

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Related Compounds

1,3-bis[2,6-bis[bis(3,5-dimethylphenyl)methyl]-4-methoxyphenyl]-2H-imidazole
CID 166446361
1,3-dibenzhydryl-5-methoxy-2-methylbenzene
CID 170203409
1,3-bis[4-methoxy-2,6-bis[(1R)-1-phenylethyl]phenyl]imidazolidine
CID 161065401
1,3-bis[4-methoxy-2,6-bis(1-phenylethyl)phenyl]imidazolidine
CID 175206372
1,3-bis[4-methoxy-2,6-bis[(1R)-1-phenylethyl]phenyl]imidazolidine;hydrochloride
CID 175206370
1-[4-(3,5-dimethylphenyl)-2,6-di(propan-2-yl)phenyl]-3-phenyl-2H-imidazole
CID 164783146
1-[bromo(phenyl)methyl]-3-methoxy-5-methylbenzene
CID 58027393
1-[bis[4-[(4-methoxyphenyl)-phenylmethyl]phenyl]methyl]-4-methoxybenzene
CID 70877905
1,3-bis(2-benzhydryl-4,6-dimethylphenyl)imidazol-1-ium
CID 132596566
4,5-dimethyl-1,3-bis[4-methyl-2,6-bis[(1S)-1-phenylethyl]phenyl]-2H-imidazole
CID 178184490
CID 166445578
CID 166445578
2,6-dibenzhydryl-N-(2,6-dibenzhydryl-4-methylphenyl)-4-methyl-N-trimethylsilylaniline
CID 102191993

Frequently Asked Questions

What is the IUPAC name of 1-(2,6-dibenzhydryl-4-methoxyphenyl)-3-(2,6-dibenzhydryl-4-methylphenyl)-2H-imidazole?
The IUPAC name of 1-(2,6-dibenzhydryl-4-methoxyphenyl)-3-(2,6-dibenzhydryl-4-methylphenyl)-2H-imidazole (CID 158181373) is 1-(2,6-dibenzhydryl-4-methoxyphenyl)-3-(2,6-dibenzhydryl-4-methylphenyl)-2H-imidazole.
What is the SMILES notation for 1-(2,6-dibenzhydryl-4-methoxyphenyl)-3-(2,6-dibenzhydryl-4-methylphenyl)-2H-imidazole?
The canonical SMILES for 1-(2,6-dibenzhydryl-4-methoxyphenyl)-3-(2,6-dibenzhydryl-4-methylphenyl)-2H-imidazole is COc1cc(C(c2ccccc2)c2ccccc2)c(N2C=CN(c3c(C(c4ccccc4)c4ccccc4)cc(C)cc3C(c3ccccc3)c3ccccc3)C2)c(C(c2ccccc2)c2ccccc2)c1.
What is the InChIKey of 1-(2,6-dibenzhydryl-4-methoxyphenyl)-3-(2,6-dibenzhydryl-4-methylphenyl)-2H-imidazole?
The InChIKey is ANZJVTOAIBXROS-UHFFFAOYSA-N. The full InChI is InChI=1S/C69H58N2O/c1-50-45-60(64(51-27-11-3-12-28-51)52-29-13-4-14-30-52)68(61(46-50)65(53-31-15-5-16-32-53)54-33-17-6-18-34-54)70-43-44-71(49-70)69-62(66(55-35-19-7-20-36-55)56-37-21-8-22-38-56)47-59(72-2)48-63(69)67(57-39-23-9-24-40-57)58-41-25-10-26-42-58/h3-48,64-67H,49H2,1-2H3.
What are the key properties of 1-(2,6-dibenzhydryl-4-methoxyphenyl)-3-(2,6-dibenzhydryl-4-methylphenyl)-2H-imidazole?
1-(2,6-dibenzhydryl-4-methoxyphenyl)-3-(2,6-dibenzhydryl-4-methylphenyl)-2H-imidazole has a molecular weight of 931.24 g/mol, XLogP of 16.48, 15 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-dibenzhydryl-4-methoxyphenyl)-3-(2,6-dibenzhydryl-4-methylphenyl)-2H-imidazole is sourced from PubChem (CID 158181373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).