1-(2,6-dimethyl-4-phenylphenyl)-2-[3-(3,5-diphenylphenyl)phenyl]-5-(3-ethylpentan-3-yl)imidazole

C48H46N2 — CID 164738565

IUPAC1-(2,6-dimethyl-4-phenylphenyl)-2-[3-(3,5-diphenylphenyl)phenyl]-5-(3-ethylpentan-3-yl)imidazole
SMILESCCC(CC)(CC)c1cnc(-c2cccc(-c3cc(-c4ccccc4)cc(-c4ccccc4)c3)c2)n1-c1c(C)cc(-c2ccccc2)cc1C
InChIInChI=1S/C48H46N2/c1-6-48(7-2,8-3)45-33-49-47(50(45)46-34(4)27-41(28-35(46)5)36-19-12-9-13-20-36)40-26-18-25-39(29-40)44-31-42(37-21-14-10-15-22-37)30-43(32-44)38-23-16-11-17-24-38/h9-33H,6-8H2,1-5H3
InChIKeyBDAZRNXBKVZKPU-UHFFFAOYSA-N
MW650.91 g/mol
LogP13.29
Rot. Bonds10

About 1-(2,6-dimethyl-4-phenylphenyl)-2-[3-(3,5-diphenylphenyl)phenyl]-5-(3-ethylpentan-3-yl)imidazole

1-(2,6-dimethyl-4-phenylphenyl)-2-[3-(3,5-diphenylphenyl)phenyl]-5-(3-ethylpentan-3-yl)imidazole (PubChem CID 164738565) has the molecular formula C48H46N2 and a molecular weight of 650.91 g/mol. Its IUPAC name is 1-(2,6-dimethyl-4-phenylphenyl)-2-[3-(3,5-diphenylphenyl)phenyl]-5-(3-ethylpentan-3-yl)imidazole.

Molecular Properties

Compound Name1-(2,6-dimethyl-4-phenylphenyl)-2-[3-(3,5-diphenylphenyl)phenyl]-5-(3-ethylpentan-3-yl)imidazole
PubChem CID164738565
Molecular FormulaC48H46N2
Molecular Weight650.91 g/mol
Exact Mass650.37
IUPAC Name1-(2,6-dimethyl-4-phenylphenyl)-2-[3-(3,5-diphenylphenyl)phenyl]-5-(3-ethylpentan-3-yl)imidazole
SMILESCCC(CC)(CC)c1cnc(-c2cccc(-c3cc(-c4ccccc4)cc(-c4ccccc4)c3)c2)n1-c1c(C)cc(-c2ccccc2)cc1C
InChIInChI=1S/C48H46N2/c1-6-48(7-2,8-3)45-33-49-47(50(45)46-34(4)27-41(28-35(46)5)36-19-12-9-13-20-36)40-26-18-25-39(29-40)44-31-42(37-21-14-10-15-22-37)30-43(32-44)38-23-16-11-17-24-38/h9-33H,6-8H2,1-5H3
InChIKeyBDAZRNXBKVZKPU-UHFFFAOYSA-N
XLogP13.29
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500650.91
LogP ≤ 513.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-(2,6-dimethyl-4-phenylphenyl)-2-[3-(3,5-diphenylphenyl)phenyl]-5-(3-ethylpentan-3-yl)imidazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-(2-methylhexan-2-yl)-1-(2-methyl-4-phenylphenyl)-2-phenylimidazole
CID 157271882
3-tert-butyl-4-(2,6-dimethylphenyl)-5-(3-phenylphenyl)-1,2,4-triazole
CID 118544171
1,3-dimethyl-5-[3-[3-[3-(3-methylphenyl)-5-phenylphenyl]phenyl]-5-phenylphenyl]benzene
CID 59552812
1-(3,5-diphenylphenyl)-3-(3-methylphenyl)-5-phenylbenzene
CID 123283333
1-(3-methylphenyl)-3-phenyl-5-(3-phenylphenyl)benzene
CID 123280286
1-(3-phenylphenyl)-3,5-bis[3-(3-phenylphenyl)phenyl]benzene
CID 177124488
1,3-dimethyl-5-(3-phenylphenyl)benzene;sulfane
CID 174481520
1,1'-biphenyl;1,3-diphenylbenzene;1,4-diphenylbenzene;ethane;toluene
CID 165006736
3-methyl-2-(3-phenylphenyl)pyridine
CID 58975820
45-(2,6-dimethyl-4-phenylphenyl)-3,17,31,45-tetrazaheptacyclo[38.2.2.22,5.212,15.216,19.226,29.130,33]tripentaconta-1(43),2,4,12,14,16,18,26(47),27,29(46),30,32,40(44),41,48,50,52-heptadecaene
CID 140791247
1-[4-[3,5-bis(4-tert-butylphenyl)phenyl]-2,6-dimethylphenyl]-3-phenyl-5-propyl-1,2,4-triazole
CID 140803268
1,3-bis(3,5-diphenylphenyl)-5-[4-[3-[3-(3,5-diphenylphenyl)phenyl]phenyl]phenyl]benzene
CID 166563615

Frequently Asked Questions

What is the IUPAC name of 1-(2,6-dimethyl-4-phenylphenyl)-2-[3-(3,5-diphenylphenyl)phenyl]-5-(3-ethylpentan-3-yl)imidazole?
The IUPAC name of 1-(2,6-dimethyl-4-phenylphenyl)-2-[3-(3,5-diphenylphenyl)phenyl]-5-(3-ethylpentan-3-yl)imidazole (CID 164738565) is 1-(2,6-dimethyl-4-phenylphenyl)-2-[3-(3,5-diphenylphenyl)phenyl]-5-(3-ethylpentan-3-yl)imidazole.
What is the SMILES notation for 1-(2,6-dimethyl-4-phenylphenyl)-2-[3-(3,5-diphenylphenyl)phenyl]-5-(3-ethylpentan-3-yl)imidazole?
The canonical SMILES for 1-(2,6-dimethyl-4-phenylphenyl)-2-[3-(3,5-diphenylphenyl)phenyl]-5-(3-ethylpentan-3-yl)imidazole is CCC(CC)(CC)c1cnc(-c2cccc(-c3cc(-c4ccccc4)cc(-c4ccccc4)c3)c2)n1-c1c(C)cc(-c2ccccc2)cc1C.
What is the InChIKey of 1-(2,6-dimethyl-4-phenylphenyl)-2-[3-(3,5-diphenylphenyl)phenyl]-5-(3-ethylpentan-3-yl)imidazole?
The InChIKey is BDAZRNXBKVZKPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H46N2/c1-6-48(7-2,8-3)45-33-49-47(50(45)46-34(4)27-41(28-35(46)5)36-19-12-9-13-20-36)40-26-18-25-39(29-40)44-31-42(37-21-14-10-15-22-37)30-43(32-44)38-23-16-11-17-24-38/h9-33H,6-8H2,1-5H3.
What are the key properties of 1-(2,6-dimethyl-4-phenylphenyl)-2-[3-(3,5-diphenylphenyl)phenyl]-5-(3-ethylpentan-3-yl)imidazole?
1-(2,6-dimethyl-4-phenylphenyl)-2-[3-(3,5-diphenylphenyl)phenyl]-5-(3-ethylpentan-3-yl)imidazole has a molecular weight of 650.91 g/mol, XLogP of 13.29, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-dimethyl-4-phenylphenyl)-2-[3-(3,5-diphenylphenyl)phenyl]-5-(3-ethylpentan-3-yl)imidazole is sourced from PubChem (CID 164738565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).