2-[3-[3-(3-methyl-2H-imidazol-1-yl)phenoxy]phenyl]-4-(3-phenoxyphenyl)-3-phenylpyridine

C39H31N3O2 — CID 168758447

IUPAC2-[3-[3-(3-methyl-2H-imidazol-1-yl)phenoxy]phenyl]-4-(3-phenoxyphenyl)-3-phenylpyridine
SMILESCN1C=CN(c2cccc(Oc3cccc(-c4nccc(-c5cccc(Oc6ccccc6)c5)c4-c4ccccc4)c3)c2)C1
InChIInChI=1S/C39H31N3O2/c1-41-23-24-42(28-41)32-15-10-20-36(27-32)44-35-19-9-14-31(26-35)39-38(29-11-4-2-5-12-29)37(21-22-40-39)30-13-8-18-34(25-30)43-33-16-6-3-7-17-33/h2-27H,28H2,1H3
InChIKeyCXLJYZYSRZUWOG-UHFFFAOYSA-N
MW573.70 g/mol
LogP9.85
Rot. Bonds8

About 2-[3-[3-(3-methyl-2H-imidazol-1-yl)phenoxy]phenyl]-4-(3-phenoxyphenyl)-3-phenylpyridine

2-[3-[3-(3-methyl-2H-imidazol-1-yl)phenoxy]phenyl]-4-(3-phenoxyphenyl)-3-phenylpyridine (PubChem CID 168758447) has the molecular formula C39H31N3O2 and a molecular weight of 573.70 g/mol. Its IUPAC name is 2-[3-[3-(3-methyl-2H-imidazol-1-yl)phenoxy]phenyl]-4-(3-phenoxyphenyl)-3-phenylpyridine.

Molecular Properties

Compound Name2-[3-[3-(3-methyl-2H-imidazol-1-yl)phenoxy]phenyl]-4-(3-phenoxyphenyl)-3-phenylpyridine
PubChem CID168758447
Molecular FormulaC39H31N3O2
Molecular Weight573.70 g/mol
Exact Mass573.24
IUPAC Name2-[3-[3-(3-methyl-2H-imidazol-1-yl)phenoxy]phenyl]-4-(3-phenoxyphenyl)-3-phenylpyridine
SMILESCN1C=CN(c2cccc(Oc3cccc(-c4nccc(-c5cccc(Oc6ccccc6)c5)c4-c4ccccc4)c3)c2)C1
InChIInChI=1S/C39H31N3O2/c1-41-23-24-42(28-41)32-15-10-20-36(27-32)44-35-19-9-14-31(26-35)39-38(29-11-4-2-5-12-29)37(21-22-40-39)30-13-8-18-34(25-30)43-33-16-6-3-7-17-33/h2-27H,28H2,1H3
InChIKeyCXLJYZYSRZUWOG-UHFFFAOYSA-N
XLogP9.85
TPSA37.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500573.70
LogP ≤ 59.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-(2,4-diphenylphenyl)-2-[3-[3-(3-methyl-2H-imidazol-1-yl)phenoxy]phenyl]pyridine
CID 168763379
2-[3-[3-(3-methyl-2H-imidazol-1-yl)phenoxy]-5-pyrrolidin-1-ylphenyl]-4-(3-phenoxyphenyl)pyridine
CID 168758544
2-[3-[3-methoxy-5-(3-methyl-2H-imidazol-1-yl)phenoxy]phenyl]-4-(3-phenoxyphenyl)pyridine
CID 168758176
4-phenyl-2-[3-[3-(3-phenyl-2H-imidazol-1-yl)phenoxy]phenyl]pyridine
CID 168763339
2-[3-[3-(3-methylimidazole-1,3-diium-1-yl)phenoxy]phenyl]-4-(3-phenoxyphenyl)-3-phenylpyridine
CID 168758360
2-[3-[3-(3-methyl-2H-imidazol-1-yl)phenoxy]phenyl]-5-pyridin-3-yl-1,3-oxazole
CID 140729683
3-[3-methyl-2-[3-[3-(3-methyl-2H-imidazol-1-yl)phenoxy]phenyl]imidazol-4-yl]pyridine
CID 140730853
3-methyl-1-[3-[3-(3-methyl-2H-imidazol-1-yl)phenoxy]phenyl]-2H-tetrazole
CID 162299889
4-methyl-2-[3-[3-(3-methyl-2H-imidazol-1-yl)phenoxy]phenyl]-5-pyridin-3-yl-1,3-thiazole
CID 140765089
1-(2,6-diphenylphenyl)-3-[3-[3-(3-methyl-2H-imidazol-1-yl)phenoxy]phenyl]-2H-benzo[e]benzimidazole
CID 164731922
3,5-dimethyl-1-[3-[3-(1-methylimidazol-2-yl)phenoxy]phenyl]-4-phenylpyrazole
CID 140729613
2-[3-(3-methyl-2H-imidazol-1-yl)phenoxy]-5-phenyl-10-(4-propan-2-yl-2-pyridinyl)indolo[3,2-b]indole
CID 169031337

Frequently Asked Questions

What is the IUPAC name of 2-[3-[3-(3-methyl-2H-imidazol-1-yl)phenoxy]phenyl]-4-(3-phenoxyphenyl)-3-phenylpyridine?
The IUPAC name of 2-[3-[3-(3-methyl-2H-imidazol-1-yl)phenoxy]phenyl]-4-(3-phenoxyphenyl)-3-phenylpyridine (CID 168758447) is 2-[3-[3-(3-methyl-2H-imidazol-1-yl)phenoxy]phenyl]-4-(3-phenoxyphenyl)-3-phenylpyridine.
What is the SMILES notation for 2-[3-[3-(3-methyl-2H-imidazol-1-yl)phenoxy]phenyl]-4-(3-phenoxyphenyl)-3-phenylpyridine?
The canonical SMILES for 2-[3-[3-(3-methyl-2H-imidazol-1-yl)phenoxy]phenyl]-4-(3-phenoxyphenyl)-3-phenylpyridine is CN1C=CN(c2cccc(Oc3cccc(-c4nccc(-c5cccc(Oc6ccccc6)c5)c4-c4ccccc4)c3)c2)C1.
What is the InChIKey of 2-[3-[3-(3-methyl-2H-imidazol-1-yl)phenoxy]phenyl]-4-(3-phenoxyphenyl)-3-phenylpyridine?
The InChIKey is CXLJYZYSRZUWOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H31N3O2/c1-41-23-24-42(28-41)32-15-10-20-36(27-32)44-35-19-9-14-31(26-35)39-38(29-11-4-2-5-12-29)37(21-22-40-39)30-13-8-18-34(25-30)43-33-16-6-3-7-17-33/h2-27H,28H2,1H3.
What are the key properties of 2-[3-[3-(3-methyl-2H-imidazol-1-yl)phenoxy]phenyl]-4-(3-phenoxyphenyl)-3-phenylpyridine?
2-[3-[3-(3-methyl-2H-imidazol-1-yl)phenoxy]phenyl]-4-(3-phenoxyphenyl)-3-phenylpyridine has a molecular weight of 573.70 g/mol, XLogP of 9.85, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[3-(3-methyl-2H-imidazol-1-yl)phenoxy]phenyl]-4-(3-phenoxyphenyl)-3-phenylpyridine is sourced from PubChem (CID 168758447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).