2-[4-bromo-3,5-bis(2-ethylhexoxy)phenyl]-5-[6-[5-[5-[4-bromo-3,5-bis(2-ethylhexoxy)phenyl]-1,3,4-oxadiazol-2-yl]-2-pyridinyl]-3-pyridinyl]-1,3,4-oxadiazole

C58H78Br2N6O6 — CID 102189045

IUPAC2-[4-bromo-3,5-bis(2-ethylhexoxy)phenyl]-5-[6-[5-[5-[4-bromo-3,5-bis(2-ethylhexoxy)phenyl]-1,3,4-oxadiazol-2-yl]-2-pyridinyl]-3-pyridinyl]-1,3,4-oxadiazole
SMILESCCCCC(CC)COc1cc(-c2nnc(-c3ccc(-c4ccc(-c5nnc(-c6cc(OCC(CC)CCCC)c(Br)c(OCC(CC)CCCC)c6)o5)cn4)nc3)o2)cc(OCC(CC)CCCC)c1Br
InChIInChI=1S/C58H78Br2N6O6/c1-9-17-21-39(13-5)35-67-49-29-45(30-50(53(49)59)68-36-40(14-6)22-18-10-2)57-65-63-55(71-57)43-25-27-47(61-33-43)48-28-26-44(34-62-48)56-64-66-58(72-56)46-31-51(69-37-41(15-7)23-19-11-3)54(60)52(32-46)70-38-42(16-8)24-20-12-4/h25-34,39-42H,9-24,35-38H2,1-8H3
InChIKeyLBAXEBNBGGQWLJ-UHFFFAOYSA-N
MW1115.11 g/mol
LogP17.48
Rot. Bonds33

About 2-[4-bromo-3,5-bis(2-ethylhexoxy)phenyl]-5-[6-[5-[5-[4-bromo-3,5-bis(2-ethylhexoxy)phenyl]-1,3,4-oxadiazol-2-yl]-2-pyridinyl]-3-pyridinyl]-1,3,4-oxadiazole

2-[4-bromo-3,5-bis(2-ethylhexoxy)phenyl]-5-[6-[5-[5-[4-bromo-3,5-bis(2-ethylhexoxy)phenyl]-1,3,4-oxadiazol-2-yl]-2-pyridinyl]-3-pyridinyl]-1,3,4-oxadiazole (PubChem CID 102189045) has the molecular formula C58H78Br2N6O6 and a molecular weight of 1115.11 g/mol. Its IUPAC name is 2-[4-bromo-3,5-bis(2-ethylhexoxy)phenyl]-5-[6-[5-[5-[4-bromo-3,5-bis(2-ethylhexoxy)phenyl]-1,3,4-oxadiazol-2-yl]-2-pyridinyl]-3-pyridinyl]-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-[4-bromo-3,5-bis(2-ethylhexoxy)phenyl]-5-[6-[5-[5-[4-bromo-3,5-bis(2-ethylhexoxy)phenyl]-1,3,4-oxadiazol-2-yl]-2-pyridinyl]-3-pyridinyl]-1,3,4-oxadiazole
PubChem CID102189045
Molecular FormulaC58H78Br2N6O6
Molecular Weight1115.11 g/mol
Exact Mass1112.43
IUPAC Name2-[4-bromo-3,5-bis(2-ethylhexoxy)phenyl]-5-[6-[5-[5-[4-bromo-3,5-bis(2-ethylhexoxy)phenyl]-1,3,4-oxadiazol-2-yl]-2-pyridinyl]-3-pyridinyl]-1,3,4-oxadiazole
SMILESCCCCC(CC)COc1cc(-c2nnc(-c3ccc(-c4ccc(-c5nnc(-c6cc(OCC(CC)CCCC)c(Br)c(OCC(CC)CCCC)c6)o5)cn4)nc3)o2)cc(OCC(CC)CCCC)c1Br
InChIInChI=1S/C58H78Br2N6O6/c1-9-17-21-39(13-5)35-67-49-29-45(30-50(53(49)59)68-36-40(14-6)22-18-10-2)57-65-63-55(71-57)43-25-27-47(61-33-43)48-28-26-44(34-62-48)56-64-66-58(72-56)46-31-51(69-37-41(15-7)23-19-11-3)54(60)52(32-46)70-38-42(16-8)24-20-12-4/h25-34,39-42H,9-24,35-38H2,1-8H3
InChIKeyLBAXEBNBGGQWLJ-UHFFFAOYSA-N
XLogP17.48
TPSA140.54 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds33
Heavy Atoms72
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001115.11
LogP ≤ 517.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

Analyze 2-[4-bromo-3,5-bis(2-ethylhexoxy)phenyl]-5-[6-[5-[5-[4-bromo-3,5-bis(2-ethylhexoxy)phenyl]-1,3,4-oxadiazol-2-yl]-2-pyridinyl]-3-pyridinyl]-1,3,4-oxadiazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1,2-dibromo-4,5-bis(2-ethylhexoxy)benzene
CID 71351015
4-bromo-2-[5-bromo-2-(2-ethylhexoxy)phenyl]-1-(2-ethylhexoxy)benzene
CID 169014033
[3-bromo-4-(2-ethylhexoxy)phenyl]methanol
CID 63533684
3-bromo-4-(2-ethylhexoxy)benzonitrile
CID 82797324
2,5-bis[5-bromo-3-(2-ethylhexoxy)thiophen-2-yl]-[1,3]thiazolo[5,4-d][1,3]thiazole
CID 102360479
2-[(2S)-2-ethylhexoxy]-4-methylbenzonitrile
CID 5479081
1,2,3,4,5-pentakis(2-ethylhexoxy)benzene
CID 90923356
5-bromo-2-(2-ethylhexoxy)benzenecarbothioamide
CID 83144919
1-[5-bromo-2-(2-ethylhexoxy)phenyl]ethanone
CID 63530428
2-(3,4,5-trihexadecoxyphenyl)-5-[4-[5-(3,4,5-trihexadecoxyphenyl)-1,3,4-oxadiazol-2-yl]phenyl]-1,3,4-oxadiazole
CID 102389627
2-[3,4,5-tri(tetradecoxy)phenyl]-5-[4-[5-[3,4,5-tri(tetradecoxy)phenyl]-1,3,4-oxadiazol-2-yl]phenyl]-1,3,4-oxadiazole
CID 102441025
2-(2-ethylhexoxy)-4-methylaniline
CID 63404064

Frequently Asked Questions

What is the IUPAC name of 2-[4-bromo-3,5-bis(2-ethylhexoxy)phenyl]-5-[6-[5-[5-[4-bromo-3,5-bis(2-ethylhexoxy)phenyl]-1,3,4-oxadiazol-2-yl]-2-pyridinyl]-3-pyridinyl]-1,3,4-oxadiazole?
The IUPAC name of 2-[4-bromo-3,5-bis(2-ethylhexoxy)phenyl]-5-[6-[5-[5-[4-bromo-3,5-bis(2-ethylhexoxy)phenyl]-1,3,4-oxadiazol-2-yl]-2-pyridinyl]-3-pyridinyl]-1,3,4-oxadiazole (CID 102189045) is 2-[4-bromo-3,5-bis(2-ethylhexoxy)phenyl]-5-[6-[5-[5-[4-bromo-3,5-bis(2-ethylhexoxy)phenyl]-1,3,4-oxadiazol-2-yl]-2-pyridinyl]-3-pyridinyl]-1,3,4-oxadiazole.
What is the SMILES notation for 2-[4-bromo-3,5-bis(2-ethylhexoxy)phenyl]-5-[6-[5-[5-[4-bromo-3,5-bis(2-ethylhexoxy)phenyl]-1,3,4-oxadiazol-2-yl]-2-pyridinyl]-3-pyridinyl]-1,3,4-oxadiazole?
The canonical SMILES for 2-[4-bromo-3,5-bis(2-ethylhexoxy)phenyl]-5-[6-[5-[5-[4-bromo-3,5-bis(2-ethylhexoxy)phenyl]-1,3,4-oxadiazol-2-yl]-2-pyridinyl]-3-pyridinyl]-1,3,4-oxadiazole is CCCCC(CC)COc1cc(-c2nnc(-c3ccc(-c4ccc(-c5nnc(-c6cc(OCC(CC)CCCC)c(Br)c(OCC(CC)CCCC)c6)o5)cn4)nc3)o2)cc(OCC(CC)CCCC)c1Br.
What is the InChIKey of 2-[4-bromo-3,5-bis(2-ethylhexoxy)phenyl]-5-[6-[5-[5-[4-bromo-3,5-bis(2-ethylhexoxy)phenyl]-1,3,4-oxadiazol-2-yl]-2-pyridinyl]-3-pyridinyl]-1,3,4-oxadiazole?
The InChIKey is LBAXEBNBGGQWLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H78Br2N6O6/c1-9-17-21-39(13-5)35-67-49-29-45(30-50(53(49)59)68-36-40(14-6)22-18-10-2)57-65-63-55(71-57)43-25-27-47(61-33-43)48-28-26-44(34-62-48)56-64-66-58(72-56)46-31-51(69-37-41(15-7)23-19-11-3)54(60)52(32-46)70-38-42(16-8)24-20-12-4/h25-34,39-42H,9-24,35-38H2,1-8H3.
What are the key properties of 2-[4-bromo-3,5-bis(2-ethylhexoxy)phenyl]-5-[6-[5-[5-[4-bromo-3,5-bis(2-ethylhexoxy)phenyl]-1,3,4-oxadiazol-2-yl]-2-pyridinyl]-3-pyridinyl]-1,3,4-oxadiazole?
2-[4-bromo-3,5-bis(2-ethylhexoxy)phenyl]-5-[6-[5-[5-[4-bromo-3,5-bis(2-ethylhexoxy)phenyl]-1,3,4-oxadiazol-2-yl]-2-pyridinyl]-3-pyridinyl]-1,3,4-oxadiazole has a molecular weight of 1115.11 g/mol, XLogP of 17.48, 33 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-bromo-3,5-bis(2-ethylhexoxy)phenyl]-5-[6-[5-[5-[4-bromo-3,5-bis(2-ethylhexoxy)phenyl]-1,3,4-oxadiazol-2-yl]-2-pyridinyl]-3-pyridinyl]-1,3,4-oxadiazole is sourced from PubChem (CID 102189045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).