2,5-bis[4-[[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenoxy]methyl]phenyl]-1,3,4-oxadiazole

C58H40N8O3 — CID 70842178

IUPAC2,5-bis[4-[[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenoxy]methyl]phenyl]-1,3,4-oxadiazole
SMILESc1ccc(-c2cc(-c3ccc(OCc4ccc(-c5nnc(-c6ccc(COc7ccc(-c8cc(-c9ccccn9)nc(-c9ccccn9)c8)cc7)cc6)o5)cc4)cc3)cc(-c3ccccn3)n2)nc1
InChIInChI=1S/C58H40N8O3/c1-5-29-59-49(9-1)53-33-45(34-54(63-53)50-10-2-6-30-60-50)41-21-25-47(26-22-41)67-37-39-13-17-43(18-14-39)57-65-66-58(69-57)44-19-15-40(16-20-44)38-68-48-27-23-42(24-28-48)46-35-55(51-11-3-7-31-61-51)64-56(36-46)52-12-4-8-32-62-52/h1-36H,37-38H2
InChIKeyZFEKVGZYEBPJEY-UHFFFAOYSA-N
MW897.01 g/mol
LogP12.93
Rot. Bonds14

About 2,5-bis[4-[[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenoxy]methyl]phenyl]-1,3,4-oxadiazole

2,5-bis[4-[[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenoxy]methyl]phenyl]-1,3,4-oxadiazole (PubChem CID 70842178) has the molecular formula C58H40N8O3 and a molecular weight of 897.01 g/mol. Its IUPAC name is 2,5-bis[4-[[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenoxy]methyl]phenyl]-1,3,4-oxadiazole.

Molecular Properties

Compound Name2,5-bis[4-[[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenoxy]methyl]phenyl]-1,3,4-oxadiazole
PubChem CID70842178
Molecular FormulaC58H40N8O3
Molecular Weight897.01 g/mol
Exact Mass896.32
IUPAC Name2,5-bis[4-[[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenoxy]methyl]phenyl]-1,3,4-oxadiazole
SMILESc1ccc(-c2cc(-c3ccc(OCc4ccc(-c5nnc(-c6ccc(COc7ccc(-c8cc(-c9ccccn9)nc(-c9ccccn9)c8)cc7)cc6)o5)cc4)cc3)cc(-c3ccccn3)n2)nc1
InChIInChI=1S/C58H40N8O3/c1-5-29-59-49(9-1)53-33-45(34-54(63-53)50-10-2-6-30-60-50)41-21-25-47(26-22-41)67-37-39-13-17-43(18-14-39)57-65-66-58(69-57)44-19-15-40(16-20-44)38-68-48-27-23-42(24-28-48)46-35-55(51-11-3-7-31-61-51)64-56(36-46)52-12-4-8-32-62-52/h1-36H,37-38H2
InChIKeyZFEKVGZYEBPJEY-UHFFFAOYSA-N
XLogP12.93
TPSA134.72 Ų
H-Bond Donors
H-Bond Acceptors11
Rotatable Bonds14
Heavy Atoms69
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500897.01
LogP ≤ 512.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1011

Analyze 2,5-bis[4-[[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenoxy]methyl]phenyl]-1,3,4-oxadiazole with MolForge

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Launch Full Analysis

Related Compounds

2-(4-Methoxy-phenyl)-4-(5-pyridin-4-yl-[1,3,4]oxadiazol-2-yl)-quinoline
CID 1151462
4-[4-[3-[4-[(3-Methyl-2-pyridinyl)methyl]piperazin-1-yl]propoxy]phenyl]benzamide
CID 91800615
4-[5-(4'-Methoxy-biphenyl-4-yl)-[1,3,4]oxadiazol-2-yl]-pyridine
CID 652865
2,5-Dimethylfuran;2,5-dimethyl-1,3,4-oxadiazole;2,3-dimethyl-5-phenylfuran;2,5-dimethyl-1-phenylpyrrole;2,5-dimethyl-1-(trifluoromethyl)pyrrole;2-methyl-4-(5-methyl-2-pyridinyl)pyridine;3-methyl-5-(5-methyl-2-pyridinyl)pyridine;4-methyl-2-(5-methyl-2-pyridinyl)pyridine
CID 157386576
2,5-dimethylfuran;2,5-dimethyl-1,3,4-oxadiazole;2,3-dimethyl-5-phenylfuran;2,5-dimethyl-1-phenylpyrrole;2,5-dimethyl-1-(trifluoromethyl)pyrrole;2-methyl-N-[(E)-2-(6-methyl-3-pyridinyl)ethenyl]prop-2-en-1-imine;2-methyl-4-(6-methyl-3-pyridinyl)pyridine;2-methyl-5-(4-methyl-2-pyridinyl)pyridine;4-methyl-3-(4-methyl-3-pyridinyl)pyridine
CID 157873691
2,5-Dimethylfuran;2,5-dimethyl-1,3,4-oxadiazole;2,3-dimethyl-5-phenylfuran;2,5-dimethyl-1-phenylpyrrole;2,5-dimethyl-1-(trifluoromethyl)pyrrole;2-methyl-4-(6-methyl-3-pyridinyl)pyridine;2-methyl-5-(4-methyl-2-pyridinyl)pyridine;2-methyl-5-(5-methyl-3-pyridinyl)pyridine
CID 158490544
2,5-Dimethylfuran;2,5-dimethyl-1,3,4-oxadiazole;2,3-dimethyl-5-phenylfuran;2,5-dimethyl-1-phenylpyrrole;2,5-dimethyl-1-(trifluoromethyl)pyrrole;2-methyl-4-(2-methyl-4-pyridinyl)pyridine;2-methyl-4-(6-methyl-3-pyridinyl)pyridine;2-methyl-5-(4-methyl-2-pyridinyl)pyridine;2-methyl-5-(5-methyl-3-pyridinyl)pyridine;4-methyl-3-(4-methyl-3-pyridinyl)pyridine
CID 159583475
3-[3-(1,1-Difluoroethyl)phenyl]-2-propan-2-ylpyridine;2-methyl-5-[3-(2-propan-2-yl-3-pyridinyl)phenyl]-1,3,4-oxadiazole;3-[4-(2-methylpropyl)phenyl]-2-propan-2-ylpyridine;2-propan-2-yl-3-(4-propan-2-yloxyphenyl)pyridine;7-(2-propan-2-yl-3-pyridinyl)isoquinoline;3-(2-propan-2-yl-3-pyridinyl)quinoline;2-propan-2-yl-3-(4-pyrrolidin-1-ylphenyl)pyridine
CID 161653171
2-[[4-(2,6-Dipyridin-2-yl-4-pyridinyl)phenyl]methoxy]benzaldehyde
CID 139177002
2-[2-[[4-Tert-butyl-6-(4-tert-butyl-2-pyridinyl)-2-pyridinyl]oxy]-3-methylphenyl]-5-phenyl-1,3,4-oxadiazole
CID 166442651
2-Pyridin-4-yl-5-[4-[[2,4,6-trimethyl-3,5-bis[[4-(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)phenoxy]methyl]phenyl]methoxy]phenyl]-1,3,4-oxadiazole
CID 155810244
5-[4-[1-[4-(Pyridin-2-ylmethoxy)phenyl]cyclohexyl]phenyl]-1,3,4-oxadiazol-2-amine
CID 66863905

Frequently Asked Questions

What is the IUPAC name of 2,5-bis[4-[[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenoxy]methyl]phenyl]-1,3,4-oxadiazole?
The IUPAC name of 2,5-bis[4-[[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenoxy]methyl]phenyl]-1,3,4-oxadiazole (CID 70842178) is 2,5-bis[4-[[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenoxy]methyl]phenyl]-1,3,4-oxadiazole.
What is the SMILES notation for 2,5-bis[4-[[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenoxy]methyl]phenyl]-1,3,4-oxadiazole?
The canonical SMILES for 2,5-bis[4-[[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenoxy]methyl]phenyl]-1,3,4-oxadiazole is c1ccc(-c2cc(-c3ccc(OCc4ccc(-c5nnc(-c6ccc(COc7ccc(-c8cc(-c9ccccn9)nc(-c9ccccn9)c8)cc7)cc6)o5)cc4)cc3)cc(-c3ccccn3)n2)nc1.
What is the InChIKey of 2,5-bis[4-[[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenoxy]methyl]phenyl]-1,3,4-oxadiazole?
The InChIKey is ZFEKVGZYEBPJEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H40N8O3/c1-5-29-59-49(9-1)53-33-45(34-54(63-53)50-10-2-6-30-60-50)41-21-25-47(26-22-41)67-37-39-13-17-43(18-14-39)57-65-66-58(69-57)44-19-15-40(16-20-44)38-68-48-27-23-42(24-28-48)46-35-55(51-11-3-7-31-61-51)64-56(36-46)52-12-4-8-32-62-52/h1-36H,37-38H2.
What are the key properties of 2,5-bis[4-[[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenoxy]methyl]phenyl]-1,3,4-oxadiazole?
2,5-bis[4-[[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenoxy]methyl]phenyl]-1,3,4-oxadiazole has a molecular weight of 897.01 g/mol, XLogP of 12.93, 14 rotatable bonds, 0 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-bis[4-[[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenoxy]methyl]phenyl]-1,3,4-oxadiazole is sourced from PubChem (CID 70842178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).