2-[4-[2-[3,5-bis[2-[4-(1-methylimidazol-2-yl)phenyl]phenyl]phenyl]phenyl]-3-methoxyphenyl]pyridine

C56H43N5O — CID 166806235

IUPAC2-[4-[2-[3,5-bis[2-[4-(1-methylimidazol-2-yl)phenyl]phenyl]phenyl]phenyl]-3-methoxyphenyl]pyridine
SMILESCOc1cc(-c2ccccn2)ccc1-c1ccccc1-c1cc(-c2ccccc2-c2ccc(-c3nccn3C)cc2)cc(-c2ccccc2-c2ccc(-c3nccn3C)cc2)c1
InChIInChI=1S/C56H43N5O/c1-60-32-30-58-55(60)40-23-19-38(20-24-40)46-12-4-6-14-48(46)43-34-44(49-15-7-5-13-47(49)39-21-25-41(26-22-39)56-59-31-33-61(56)2)36-45(35-43)50-16-8-9-17-51(50)52-28-27-42(37-54(52)62-3)53-18-10-11-29-57-53/h4-37H,1-3H3
InChIKeyQRRLUIYVIVWZLC-UHFFFAOYSA-N
MW801.99 g/mol
LogP13.56
Rot. Bonds10

About 2-[4-[2-[3,5-bis[2-[4-(1-methylimidazol-2-yl)phenyl]phenyl]phenyl]phenyl]-3-methoxyphenyl]pyridine

2-[4-[2-[3,5-bis[2-[4-(1-methylimidazol-2-yl)phenyl]phenyl]phenyl]phenyl]-3-methoxyphenyl]pyridine (PubChem CID 166806235) has the molecular formula C56H43N5O and a molecular weight of 801.99 g/mol. Its IUPAC name is 2-[4-[2-[3,5-bis[2-[4-(1-methylimidazol-2-yl)phenyl]phenyl]phenyl]phenyl]-3-methoxyphenyl]pyridine.

Molecular Properties

Compound Name2-[4-[2-[3,5-bis[2-[4-(1-methylimidazol-2-yl)phenyl]phenyl]phenyl]phenyl]-3-methoxyphenyl]pyridine
PubChem CID166806235
Molecular FormulaC56H43N5O
Molecular Weight801.99 g/mol
Exact Mass801.35
IUPAC Name2-[4-[2-[3,5-bis[2-[4-(1-methylimidazol-2-yl)phenyl]phenyl]phenyl]phenyl]-3-methoxyphenyl]pyridine
SMILESCOc1cc(-c2ccccn2)ccc1-c1ccccc1-c1cc(-c2ccccc2-c2ccc(-c3nccn3C)cc2)cc(-c2ccccc2-c2ccc(-c3nccn3C)cc2)c1
InChIInChI=1S/C56H43N5O/c1-60-32-30-58-55(60)40-23-19-38(20-24-40)46-12-4-6-14-48(46)43-34-44(49-15-7-5-13-47(49)39-21-25-41(26-22-39)56-59-31-33-61(56)2)36-45(35-43)50-16-8-9-17-51(50)52-28-27-42(37-54(52)62-3)53-18-10-11-29-57-53/h4-37H,1-3H3
InChIKeyQRRLUIYVIVWZLC-UHFFFAOYSA-N
XLogP13.56
TPSA57.76 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms62
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500801.99
LogP ≤ 513.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-[4-[2-[3,5-bis[2-(4-pyridin-2-ylphenyl)phenyl]phenyl]phenyl]-3-methoxyphenyl]pyridine
CID 142438981
2-[4-[2-[3,5-bis[2-[4-(1-methylimidazol-2-yl)phenyl]phenyl]phenyl]phenyl]-3-dibenzothiophen-3-ylphenyl]pyridine
CID 142438932
2-[4-[2-[3,5-bis[2-[4-(1-methylimidazol-2-yl)phenyl]phenyl]phenyl]phenyl]phenyl]-4-(4-phenylphenyl)pyridine
CID 153458259
5-[2-[3,5-bis[2-[4-(1-methylimidazol-2-yl)phenyl]phenyl]phenyl]phenyl]-2-(3-triphenylen-2-ylphenyl)pyridine
CID 153458018
2-[2-[2-[3,5-bis[2-(4-pyridin-2-ylphenyl)phenyl]phenyl]phenyl]-5-pyridin-2-ylphenoxy]-6-pyridin-2-ylpyridine
CID 156674137
2-[3-[2-[2-(3,5-dipyridin-2-ylphenyl)phenyl]phenyl]-5-pyridin-2-ylphenyl]pyridine
CID 71534257
2-(3-chloro-4-methoxyphenyl)-1-methylimidazole
CID 146601290
1-methyl-2-[4-(1-methylimidazol-2-yl)phenyl]imidazole
CID 1088925
2-[2-[3,5-bis[2-(4-pyridin-2-ylphenyl)phenyl]phenyl]phenyl]-5-(5-methyl-2-pyridinyl)phenol
CID 166806244
1-methyl-2-[4-[4-(1-methylimidazol-2-yl)phenyl]phenyl]imidazole
CID 132575754
2-[4-[2-[3-chloro-5-[4,5-dimethyl-2-(4-pyridin-2-ylphenyl)phenyl]phenyl]-4,5-dimethylphenyl]phenyl]pyridine
CID 134313361
2-[3-phenyl-4-[2-[3-[2-[2-phenyl-4-[4-phenyl-3-(trideuteriomethyl)phenyl]phenyl]phenyl]-5-[2-(2-phenyl-4-pyridin-2-ylphenyl)phenyl]phenyl]phenyl]phenyl]pyridine
CID 156621495

Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-[3,5-bis[2-[4-(1-methylimidazol-2-yl)phenyl]phenyl]phenyl]phenyl]-3-methoxyphenyl]pyridine?
The IUPAC name of 2-[4-[2-[3,5-bis[2-[4-(1-methylimidazol-2-yl)phenyl]phenyl]phenyl]phenyl]-3-methoxyphenyl]pyridine (CID 166806235) is 2-[4-[2-[3,5-bis[2-[4-(1-methylimidazol-2-yl)phenyl]phenyl]phenyl]phenyl]-3-methoxyphenyl]pyridine.
What is the SMILES notation for 2-[4-[2-[3,5-bis[2-[4-(1-methylimidazol-2-yl)phenyl]phenyl]phenyl]phenyl]-3-methoxyphenyl]pyridine?
The canonical SMILES for 2-[4-[2-[3,5-bis[2-[4-(1-methylimidazol-2-yl)phenyl]phenyl]phenyl]phenyl]-3-methoxyphenyl]pyridine is COc1cc(-c2ccccn2)ccc1-c1ccccc1-c1cc(-c2ccccc2-c2ccc(-c3nccn3C)cc2)cc(-c2ccccc2-c2ccc(-c3nccn3C)cc2)c1.
What is the InChIKey of 2-[4-[2-[3,5-bis[2-[4-(1-methylimidazol-2-yl)phenyl]phenyl]phenyl]phenyl]-3-methoxyphenyl]pyridine?
The InChIKey is QRRLUIYVIVWZLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H43N5O/c1-60-32-30-58-55(60)40-23-19-38(20-24-40)46-12-4-6-14-48(46)43-34-44(49-15-7-5-13-47(49)39-21-25-41(26-22-39)56-59-31-33-61(56)2)36-45(35-43)50-16-8-9-17-51(50)52-28-27-42(37-54(52)62-3)53-18-10-11-29-57-53/h4-37H,1-3H3.
What are the key properties of 2-[4-[2-[3,5-bis[2-[4-(1-methylimidazol-2-yl)phenyl]phenyl]phenyl]phenyl]-3-methoxyphenyl]pyridine?
2-[4-[2-[3,5-bis[2-[4-(1-methylimidazol-2-yl)phenyl]phenyl]phenyl]phenyl]-3-methoxyphenyl]pyridine has a molecular weight of 801.99 g/mol, XLogP of 13.56, 10 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2-[3,5-bis[2-[4-(1-methylimidazol-2-yl)phenyl]phenyl]phenyl]phenyl]-3-methoxyphenyl]pyridine is sourced from PubChem (CID 166806235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).