2-[5-(2,6-ditert-butyl-4-phenylphenyl)-2-(3-methylpentan-3-yl)phenyl]-1-[4-phenyl-2,6-di(propan-2-yl)phenyl]imidazole

C53H64N2 — CID 144542422

IUPAC2-[5-(2,6-ditert-butyl-4-phenylphenyl)-2-(3-methylpentan-3-yl)phenyl]-1-[4-phenyl-2,6-di(propan-2-yl)phenyl]imidazole
SMILESCCC(C)(CC)c1ccc(-c2c(C(C)(C)C)cc(-c3ccccc3)cc2C(C)(C)C)cc1-c1nccn1-c1c(C(C)C)cc(-c2ccccc2)cc1C(C)C
InChIInChI=1S/C53H64N2/c1-14-53(13,15-2)45-27-26-39(48-46(51(7,8)9)33-41(34-47(48)52(10,11)12)38-24-20-17-21-25-38)30-44(45)50-54-28-29-55(50)49-42(35(3)4)31-40(32-43(49)36(5)6)37-22-18-16-19-23-37/h16-36H,14-15H2,1-13H3
InChIKeyVRYMRLJBVLCDGW-UHFFFAOYSA-N
MW729.11 g/mol
LogP15.46
Rot. Bonds10

About 2-[5-(2,6-ditert-butyl-4-phenylphenyl)-2-(3-methylpentan-3-yl)phenyl]-1-[4-phenyl-2,6-di(propan-2-yl)phenyl]imidazole

2-[5-(2,6-ditert-butyl-4-phenylphenyl)-2-(3-methylpentan-3-yl)phenyl]-1-[4-phenyl-2,6-di(propan-2-yl)phenyl]imidazole (PubChem CID 144542422) has the molecular formula C53H64N2 and a molecular weight of 729.11 g/mol. Its IUPAC name is 2-[5-(2,6-ditert-butyl-4-phenylphenyl)-2-(3-methylpentan-3-yl)phenyl]-1-[4-phenyl-2,6-di(propan-2-yl)phenyl]imidazole.

Molecular Properties

Compound Name2-[5-(2,6-ditert-butyl-4-phenylphenyl)-2-(3-methylpentan-3-yl)phenyl]-1-[4-phenyl-2,6-di(propan-2-yl)phenyl]imidazole
PubChem CID144542422
Molecular FormulaC53H64N2
Molecular Weight729.11 g/mol
Exact Mass728.51
IUPAC Name2-[5-(2,6-ditert-butyl-4-phenylphenyl)-2-(3-methylpentan-3-yl)phenyl]-1-[4-phenyl-2,6-di(propan-2-yl)phenyl]imidazole
SMILESCCC(C)(CC)c1ccc(-c2c(C(C)(C)C)cc(-c3ccccc3)cc2C(C)(C)C)cc1-c1nccn1-c1c(C(C)C)cc(-c2ccccc2)cc1C(C)C
InChIInChI=1S/C53H64N2/c1-14-53(13,15-2)45-27-26-39(48-46(51(7,8)9)33-41(34-47(48)52(10,11)12)38-24-20-17-21-25-38)30-44(45)50-54-28-29-55(50)49-42(35(3)4)31-40(32-43(49)36(5)6)37-22-18-16-19-23-37/h16-36H,14-15H2,1-13H3
InChIKeyVRYMRLJBVLCDGW-UHFFFAOYSA-N
XLogP15.46
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500729.11
LogP ≤ 515.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-fluorophenyl)-1-[4-phenyl-2,6-di(propan-2-yl)phenyl]imidazole;propane
CID 144541473
1-[2,6-di(propan-2-yl)-4-triphenylen-2-ylphenyl]-2-phenylimidazole
CID 140866253
2-[2-(2,3-dimethylpentan-3-yl)phenyl]-1-[2,6-di(propan-2-yl)phenyl]imidazole;ethane
CID 145383767
1-[4-phenyl-2,6-di(propan-2-yl)phenyl]-2-(15-phenyl-10-oxapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4(9),5,7,12,14,16,18,20-decaen-8-yl)imidazole
CID 171051613
2-[3-[3,5-bis(4-tert-butylphenyl)-2-methylphenyl]benzene-6-id-1-yl]-1-(2,6-dimethylphenyl)imidazole;1-[4-[3,5-bis(4-tert-butylphenyl)phenyl]-2,6-di(propan-2-yl)phenyl]-2-phenylimidazole;1-(2,6-dimethylphenyl)-2-[3-[3-(3,5-diphenylphenyl)phenyl]benzene-6-id-1-yl]imidazole;tris(iridium)
CID 161273432
2-[2-(3,4-dimethylhexan-3-yl)phenyl]-1-[2,6-di(propan-2-yl)phenyl]imidazole
CID 123378670
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
1-(2,6-ditert-butyl-4-methylphenyl)-2-phenylimidazole
CID 140703322
1-[4-cyclopentyl-2,6-di(propan-2-yl)phenyl]-2-[3-[[3-[1-[4-phenyl-2,6-di(propan-2-yl)phenyl]imidazol-2-yl]phenyl]methoxymethyl]phenyl]imidazole
CID 140723590
1-[4-phenyl-2,6-di(propan-2-yl)phenyl]-2-(17-phenyl-10-oxapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4(9),5,7,12,14(19),15,17,20-decaen-8-yl)imidazole
CID 171051628
2-phenyl-1-[3-phenyl-2,6-di(propan-2-yl)phenyl]imidazole
CID 58175702
1-[1,3-di(propan-2-yl)naphthalen-2-yl]-2-phenylimidazole
CID 140866303

Frequently Asked Questions

What is the IUPAC name of 2-[5-(2,6-ditert-butyl-4-phenylphenyl)-2-(3-methylpentan-3-yl)phenyl]-1-[4-phenyl-2,6-di(propan-2-yl)phenyl]imidazole?
The IUPAC name of 2-[5-(2,6-ditert-butyl-4-phenylphenyl)-2-(3-methylpentan-3-yl)phenyl]-1-[4-phenyl-2,6-di(propan-2-yl)phenyl]imidazole (CID 144542422) is 2-[5-(2,6-ditert-butyl-4-phenylphenyl)-2-(3-methylpentan-3-yl)phenyl]-1-[4-phenyl-2,6-di(propan-2-yl)phenyl]imidazole.
What is the SMILES notation for 2-[5-(2,6-ditert-butyl-4-phenylphenyl)-2-(3-methylpentan-3-yl)phenyl]-1-[4-phenyl-2,6-di(propan-2-yl)phenyl]imidazole?
The canonical SMILES for 2-[5-(2,6-ditert-butyl-4-phenylphenyl)-2-(3-methylpentan-3-yl)phenyl]-1-[4-phenyl-2,6-di(propan-2-yl)phenyl]imidazole is CCC(C)(CC)c1ccc(-c2c(C(C)(C)C)cc(-c3ccccc3)cc2C(C)(C)C)cc1-c1nccn1-c1c(C(C)C)cc(-c2ccccc2)cc1C(C)C.
What is the InChIKey of 2-[5-(2,6-ditert-butyl-4-phenylphenyl)-2-(3-methylpentan-3-yl)phenyl]-1-[4-phenyl-2,6-di(propan-2-yl)phenyl]imidazole?
The InChIKey is VRYMRLJBVLCDGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C53H64N2/c1-14-53(13,15-2)45-27-26-39(48-46(51(7,8)9)33-41(34-47(48)52(10,11)12)38-24-20-17-21-25-38)30-44(45)50-54-28-29-55(50)49-42(35(3)4)31-40(32-43(49)36(5)6)37-22-18-16-19-23-37/h16-36H,14-15H2,1-13H3.
What are the key properties of 2-[5-(2,6-ditert-butyl-4-phenylphenyl)-2-(3-methylpentan-3-yl)phenyl]-1-[4-phenyl-2,6-di(propan-2-yl)phenyl]imidazole?
2-[5-(2,6-ditert-butyl-4-phenylphenyl)-2-(3-methylpentan-3-yl)phenyl]-1-[4-phenyl-2,6-di(propan-2-yl)phenyl]imidazole has a molecular weight of 729.11 g/mol, XLogP of 15.46, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(2,6-ditert-butyl-4-phenylphenyl)-2-(3-methylpentan-3-yl)phenyl]-1-[4-phenyl-2,6-di(propan-2-yl)phenyl]imidazole is sourced from PubChem (CID 144542422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).