1-(2,6-dimethylphenyl)-3-[3-[2-[3-[3-[4-[3-(2,6-dimethylphenyl)-2H-imidazol-1-yl]phenyl]phenyl]phenyl]phenyl]phenyl]-2H-imidazole

C52H46N4 — CID 140814522

IUPAC1-(2,6-dimethylphenyl)-3-[3-[2-[3-[3-[4-[3-(2,6-dimethylphenyl)-2H-imidazol-1-yl]phenyl]phenyl]phenyl]phenyl]phenyl]-2H-imidazole
SMILESCc1cccc(C)c1N1C=CN(c2ccc(-c3cccc(-c4cccc(-c5ccccc5-c5cccc(N6C=CN(c7c(C)cccc7C)C6)c5)c4)c3)cc2)C1
InChIInChI=1S/C52H46N4/c1-37-12-7-13-38(2)51(37)55-30-28-53(35-55)47-26-24-41(25-27-47)42-16-9-17-43(32-42)44-18-10-19-45(33-44)49-22-5-6-23-50(49)46-20-11-21-48(34-46)54-29-31-56(36-54)52-39(3)14-8-15-40(52)4/h5-34H,35-36H2,1-4H3
InChIKeyQUKMXDAKWHPVGR-UHFFFAOYSA-N
MW726.97 g/mol
LogP13.10
Rot. Bonds8

About 1-(2,6-dimethylphenyl)-3-[3-[2-[3-[3-[4-[3-(2,6-dimethylphenyl)-2H-imidazol-1-yl]phenyl]phenyl]phenyl]phenyl]phenyl]-2H-imidazole

1-(2,6-dimethylphenyl)-3-[3-[2-[3-[3-[4-[3-(2,6-dimethylphenyl)-2H-imidazol-1-yl]phenyl]phenyl]phenyl]phenyl]phenyl]-2H-imidazole (PubChem CID 140814522) has the molecular formula C52H46N4 and a molecular weight of 726.97 g/mol. Its IUPAC name is 1-(2,6-dimethylphenyl)-3-[3-[2-[3-[3-[4-[3-(2,6-dimethylphenyl)-2H-imidazol-1-yl]phenyl]phenyl]phenyl]phenyl]phenyl]-2H-imidazole.

Molecular Properties

Compound Name1-(2,6-dimethylphenyl)-3-[3-[2-[3-[3-[4-[3-(2,6-dimethylphenyl)-2H-imidazol-1-yl]phenyl]phenyl]phenyl]phenyl]phenyl]-2H-imidazole
PubChem CID140814522
Molecular FormulaC52H46N4
Molecular Weight726.97 g/mol
Exact Mass726.37
IUPAC Name1-(2,6-dimethylphenyl)-3-[3-[2-[3-[3-[4-[3-(2,6-dimethylphenyl)-2H-imidazol-1-yl]phenyl]phenyl]phenyl]phenyl]phenyl]-2H-imidazole
SMILESCc1cccc(C)c1N1C=CN(c2ccc(-c3cccc(-c4cccc(-c5ccccc5-c5cccc(N6C=CN(c7c(C)cccc7C)C6)c5)c4)c3)cc2)C1
InChIInChI=1S/C52H46N4/c1-37-12-7-13-38(2)51(37)55-30-28-53(35-55)47-26-24-41(25-27-47)42-16-9-17-43(32-42)44-18-10-19-45(33-44)49-22-5-6-23-50(49)46-20-11-21-48(34-46)54-29-31-56(36-54)52-39(3)14-8-15-40(52)4/h5-34H,35-36H2,1-4H3
InChIKeyQUKMXDAKWHPVGR-UHFFFAOYSA-N
XLogP13.10
TPSA12.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500726.97
LogP ≤ 513.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[3-[2-[2-[5-[4-[3-(2,6-dimethylphenyl)-2H-imidazol-1-yl]phenyl]-3,4-dimethylfuran-2-yl]phenyl]phenyl]phenyl]pyridine
CID 162287245
1,3-bis(2,6-dimethylphenyl)-2H-imidazole;silver
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1-methyl-2-[3-[4-[2-(3-methylphenyl)phenyl]phenyl]phenyl]benzene
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1-methyl-4-[2-(3-phenylphenyl)phenyl]benzene
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CID 142541189
1-methyl-2-[4-[3-(4-methylphenyl)phenyl]phenyl]benzene
CID 58892346
1-methyl-2-(2-methylphenyl)-4-(3-phenylphenyl)benzene
CID 143578929
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CID 59171668
1,2-bis(3-methylphenyl)benzene;1,3-bis(3-methylphenyl)benzene;1-methyl-2-[2-(3-methylphenyl)phenyl]benzene;1-methyl-2-[3-(3-methylphenyl)phenyl]benzene;1-methyl-3-[3-(4-methylphenyl)phenyl]benzene;1-methyl-4-[2-(3-methylphenyl)phenyl]benzene
CID 162017354
ethane;1-methyl-2-(3-phenylphenyl)benzene;1-methyl-2-(4-phenylphenyl)benzene;1-methyl-3-(2-phenylphenyl)benzene;1-methyl-3-(3-phenylphenyl)benzene;1-methyl-3-(4-phenylphenyl)benzene;1-methyl-4-(3-phenylphenyl)benzene
CID 158292689
1-[3-methyl-4-[2-methyl-4-[3-methyl-4-[2-methyl-4-(2-phenylphenyl)phenyl]phenyl]phenyl]phenyl]-3,5-diphenylbenzene
CID 58881209
3-[9-(3-phenylphenyl)carbazol-3-yl]-9-[3-[2-[4-[3-(3-phenylphenyl)phenyl]phenyl]phenyl]phenyl]carbazole;3-[9-(3-phenylphenyl)carbazol-3-yl]-9-[3-[3-[4-[3-(3-phenylphenyl)phenyl]phenyl]phenyl]phenyl]carbazole
CID 161346231

Frequently Asked Questions

What is the IUPAC name of 1-(2,6-dimethylphenyl)-3-[3-[2-[3-[3-[4-[3-(2,6-dimethylphenyl)-2H-imidazol-1-yl]phenyl]phenyl]phenyl]phenyl]phenyl]-2H-imidazole?
The IUPAC name of 1-(2,6-dimethylphenyl)-3-[3-[2-[3-[3-[4-[3-(2,6-dimethylphenyl)-2H-imidazol-1-yl]phenyl]phenyl]phenyl]phenyl]phenyl]-2H-imidazole (CID 140814522) is 1-(2,6-dimethylphenyl)-3-[3-[2-[3-[3-[4-[3-(2,6-dimethylphenyl)-2H-imidazol-1-yl]phenyl]phenyl]phenyl]phenyl]phenyl]-2H-imidazole.
What is the SMILES notation for 1-(2,6-dimethylphenyl)-3-[3-[2-[3-[3-[4-[3-(2,6-dimethylphenyl)-2H-imidazol-1-yl]phenyl]phenyl]phenyl]phenyl]phenyl]-2H-imidazole?
The canonical SMILES for 1-(2,6-dimethylphenyl)-3-[3-[2-[3-[3-[4-[3-(2,6-dimethylphenyl)-2H-imidazol-1-yl]phenyl]phenyl]phenyl]phenyl]phenyl]-2H-imidazole is Cc1cccc(C)c1N1C=CN(c2ccc(-c3cccc(-c4cccc(-c5ccccc5-c5cccc(N6C=CN(c7c(C)cccc7C)C6)c5)c4)c3)cc2)C1.
What is the InChIKey of 1-(2,6-dimethylphenyl)-3-[3-[2-[3-[3-[4-[3-(2,6-dimethylphenyl)-2H-imidazol-1-yl]phenyl]phenyl]phenyl]phenyl]phenyl]-2H-imidazole?
The InChIKey is QUKMXDAKWHPVGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H46N4/c1-37-12-7-13-38(2)51(37)55-30-28-53(35-55)47-26-24-41(25-27-47)42-16-9-17-43(32-42)44-18-10-19-45(33-44)49-22-5-6-23-50(49)46-20-11-21-48(34-46)54-29-31-56(36-54)52-39(3)14-8-15-40(52)4/h5-34H,35-36H2,1-4H3.
What are the key properties of 1-(2,6-dimethylphenyl)-3-[3-[2-[3-[3-[4-[3-(2,6-dimethylphenyl)-2H-imidazol-1-yl]phenyl]phenyl]phenyl]phenyl]phenyl]-2H-imidazole?
1-(2,6-dimethylphenyl)-3-[3-[2-[3-[3-[4-[3-(2,6-dimethylphenyl)-2H-imidazol-1-yl]phenyl]phenyl]phenyl]phenyl]phenyl]-2H-imidazole has a molecular weight of 726.97 g/mol, XLogP of 13.10, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-dimethylphenyl)-3-[3-[2-[3-[3-[4-[3-(2,6-dimethylphenyl)-2H-imidazol-1-yl]phenyl]phenyl]phenyl]phenyl]phenyl]-2H-imidazole is sourced from PubChem (CID 140814522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).