2-[3-[2-[2-[5-[4-[3-(2,6-dimethylphenyl)-2H-imidazol-1-yl]phenyl]-3,4-dimethylfuran-2-yl]phenyl]phenyl]phenyl]pyridine

C46H39N3O — CID 162287245

IUPAC2-[3-[2-[2-[5-[4-[3-(2,6-dimethylphenyl)-2H-imidazol-1-yl]phenyl]-3,4-dimethylfuran-2-yl]phenyl]phenyl]phenyl]pyridine
SMILESCc1cccc(C)c1N1C=CN(c2ccc(-c3oc(-c4ccccc4-c4ccccc4-c4cccc(-c5ccccn5)c4)c(C)c3C)cc2)C1
InChIInChI=1S/C46H39N3O/c1-31-13-11-14-32(2)44(31)49-28-27-48(30-49)38-24-22-35(23-25-38)45-33(3)34(4)46(50-45)42-20-8-7-19-41(42)40-18-6-5-17-39(40)36-15-12-16-37(29-36)43-21-9-10-26-47-43/h5-29H,30H2,1-4H3
InChIKeyICSBFWCIPABIPS-UHFFFAOYSA-N
MW649.84 g/mol
LogP12.00
Rot. Bonds7

About 2-[3-[2-[2-[5-[4-[3-(2,6-dimethylphenyl)-2H-imidazol-1-yl]phenyl]-3,4-dimethylfuran-2-yl]phenyl]phenyl]phenyl]pyridine

2-[3-[2-[2-[5-[4-[3-(2,6-dimethylphenyl)-2H-imidazol-1-yl]phenyl]-3,4-dimethylfuran-2-yl]phenyl]phenyl]phenyl]pyridine (PubChem CID 162287245) has the molecular formula C46H39N3O and a molecular weight of 649.84 g/mol. Its IUPAC name is 2-[3-[2-[2-[5-[4-[3-(2,6-dimethylphenyl)-2H-imidazol-1-yl]phenyl]-3,4-dimethylfuran-2-yl]phenyl]phenyl]phenyl]pyridine.

Molecular Properties

Compound Name2-[3-[2-[2-[5-[4-[3-(2,6-dimethylphenyl)-2H-imidazol-1-yl]phenyl]-3,4-dimethylfuran-2-yl]phenyl]phenyl]phenyl]pyridine
PubChem CID162287245
Molecular FormulaC46H39N3O
Molecular Weight649.84 g/mol
Exact Mass649.31
IUPAC Name2-[3-[2-[2-[5-[4-[3-(2,6-dimethylphenyl)-2H-imidazol-1-yl]phenyl]-3,4-dimethylfuran-2-yl]phenyl]phenyl]phenyl]pyridine
SMILESCc1cccc(C)c1N1C=CN(c2ccc(-c3oc(-c4ccccc4-c4ccccc4-c4cccc(-c5ccccn5)c4)c(C)c3C)cc2)C1
InChIInChI=1S/C46H39N3O/c1-31-13-11-14-32(2)44(31)49-28-27-48(30-49)38-24-22-35(23-25-38)45-33(3)34(4)46(50-45)42-20-8-7-19-41(42)40-18-6-5-17-39(40)36-15-12-16-37(29-36)43-21-9-10-26-47-43/h5-29H,30H2,1-4H3
InChIKeyICSBFWCIPABIPS-UHFFFAOYSA-N
XLogP12.00
TPSA32.51 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500649.84
LogP ≤ 512.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

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
2-[3-(2-phenylphenyl)phenyl]pyridine
CID 59403973
2-[3-(3-phenylphenyl)-4-[2-[3-[2-[2-(3-phenylphenyl)-4-pyridin-2-ylphenyl]phenyl]phenyl]phenyl]phenyl]pyridine
CID 153434547
2-[3-[2-[2-(3,5-dipyridin-2-ylphenyl)phenyl]phenyl]-5-pyridin-2-ylphenyl]pyridine
CID 71534257
2-[3-ethyl-4-[2-[3-[2-(2-ethyl-4-pyridin-2-ylphenyl)phenyl]phenyl]phenyl]phenyl]pyridine
CID 153434537
2-[3,5-bis[6-(3-pyridin-2-ylphenyl)-2-pyridinyl]phenyl]-6-(3-pyridin-2-ylphenyl)pyridine
CID 102128660
2-[3-[2-[2-phenyl-3,4,5,6-tetrakis(4-phenylphenyl)phenyl]phenyl]phenyl]pyridine
CID 153429623
2-[2-[2-[3-[3-(2,6-dimethylphenyl)-5-pyridin-2-ylphenoxy]phenyl]phenyl]phenyl]pyridine
CID 139363753
2-[3-[4-[4-[3-[3-[3-[3-(3-phenylphenyl)phenyl]phenyl]phenyl]phenyl]phenyl]phenyl]phenyl]pyridine
CID 171461302
9-phenyl-2-pyridin-2-yl-6-[3-[2-(3-pyridin-2-ylphenyl)phenyl]phenyl]carbazole
CID 140814524
4-[3-(2-methylphenyl)phenyl]pyrimidine
CID 146397292
2-methyl-8-(3-pyridin-2-ylphenyl)-[1]benzofuro[2,3-b]pyridine
CID 140760585

Frequently Asked Questions

What is the IUPAC name of 2-[3-[2-[2-[5-[4-[3-(2,6-dimethylphenyl)-2H-imidazol-1-yl]phenyl]-3,4-dimethylfuran-2-yl]phenyl]phenyl]phenyl]pyridine?
The IUPAC name of 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) is 2-[3-[2-[2-[5-[4-[3-(2,6-dimethylphenyl)-2H-imidazol-1-yl]phenyl]-3,4-dimethylfuran-2-yl]phenyl]phenyl]phenyl]pyridine.
What is the SMILES notation for 2-[3-[2-[2-[5-[4-[3-(2,6-dimethylphenyl)-2H-imidazol-1-yl]phenyl]-3,4-dimethylfuran-2-yl]phenyl]phenyl]phenyl]pyridine?
The canonical SMILES for 2-[3-[2-[2-[5-[4-[3-(2,6-dimethylphenyl)-2H-imidazol-1-yl]phenyl]-3,4-dimethylfuran-2-yl]phenyl]phenyl]phenyl]pyridine is Cc1cccc(C)c1N1C=CN(c2ccc(-c3oc(-c4ccccc4-c4ccccc4-c4cccc(-c5ccccn5)c4)c(C)c3C)cc2)C1.
What is the InChIKey of 2-[3-[2-[2-[5-[4-[3-(2,6-dimethylphenyl)-2H-imidazol-1-yl]phenyl]-3,4-dimethylfuran-2-yl]phenyl]phenyl]phenyl]pyridine?
The InChIKey is ICSBFWCIPABIPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H39N3O/c1-31-13-11-14-32(2)44(31)49-28-27-48(30-49)38-24-22-35(23-25-38)45-33(3)34(4)46(50-45)42-20-8-7-19-41(42)40-18-6-5-17-39(40)36-15-12-16-37(29-36)43-21-9-10-26-47-43/h5-29H,30H2,1-4H3.
What are the key properties of 2-[3-[2-[2-[5-[4-[3-(2,6-dimethylphenyl)-2H-imidazol-1-yl]phenyl]-3,4-dimethylfuran-2-yl]phenyl]phenyl]phenyl]pyridine?
2-[3-[2-[2-[5-[4-[3-(2,6-dimethylphenyl)-2H-imidazol-1-yl]phenyl]-3,4-dimethylfuran-2-yl]phenyl]phenyl]phenyl]pyridine has a molecular weight of 649.84 g/mol, XLogP of 12.00, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[2-[2-[5-[4-[3-(2,6-dimethylphenyl)-2H-imidazol-1-yl]phenyl]-3,4-dimethylfuran-2-yl]phenyl]phenyl]phenyl]pyridine is sourced from PubChem (CID 162287245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).