2,5-bis[4-[(E)-2-(3,4-dichlorophenyl)ethenyl]phenyl]-1,3,4-oxadiazole

C30H18Cl4N2O — CID 102039656

IUPAC2,5-bis[4-[(E)-2-(3,4-dichlorophenyl)ethenyl]phenyl]-1,3,4-oxadiazole
SMILESClc1ccc(/C=C/c2ccc(-c3nnc(-c4ccc(/C=C/c5ccc(Cl)c(Cl)c5)cc4)o3)cc2)cc1Cl
InChIInChI=1S/C30H18Cl4N2O/c31-25-15-9-21(17-27(25)33)3-1-19-5-11-23(12-6-19)29-35-36-30(37-29)24-13-7-20(8-14-24)2-4-22-10-16-26(32)28(34)18-22/h1-18H/b3-1+,4-2+
InChIKeyNXMNTIZPUBJXCZ-ZPUQHVIOSA-N
MW564.30 g/mol
LogP10.36
Rot. Bonds6

About 2,5-bis[4-[(E)-2-(3,4-dichlorophenyl)ethenyl]phenyl]-1,3,4-oxadiazole

2,5-bis[4-[(E)-2-(3,4-dichlorophenyl)ethenyl]phenyl]-1,3,4-oxadiazole (PubChem CID 102039656) has the molecular formula C30H18Cl4N2O and a molecular weight of 564.30 g/mol. Its IUPAC name is 2,5-bis[4-[(E)-2-(3,4-dichlorophenyl)ethenyl]phenyl]-1,3,4-oxadiazole.

Molecular Properties

Compound Name2,5-bis[4-[(E)-2-(3,4-dichlorophenyl)ethenyl]phenyl]-1,3,4-oxadiazole
PubChem CID102039656
Molecular FormulaC30H18Cl4N2O
Molecular Weight564.30 g/mol
Exact Mass562.02
IUPAC Name2,5-bis[4-[(E)-2-(3,4-dichlorophenyl)ethenyl]phenyl]-1,3,4-oxadiazole
SMILESClc1ccc(/C=C/c2ccc(-c3nnc(-c4ccc(/C=C/c5ccc(Cl)c(Cl)c5)cc4)o3)cc2)cc1Cl
InChIInChI=1S/C30H18Cl4N2O/c31-25-15-9-21(17-27(25)33)3-1-19-5-11-23(12-6-19)29-35-36-30(37-29)24-13-7-20(8-14-24)2-4-22-10-16-26(32)28(34)18-22/h1-18H/b3-1+,4-2+
InChIKeyNXMNTIZPUBJXCZ-ZPUQHVIOSA-N
XLogP10.36
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500564.30
LogP ≤ 510.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'stilbene', 'substructure': 'N/A'}

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Related Compounds

1,2-dichloro-4-[(Z)-2-(4-methylphenyl)ethenyl]benzene
CID 129289672
1,2-dichloro-4-[(E)-2-(4-methoxyphenyl)ethenyl]benzene
CID 122615244
2-methyl-5-[4-(2-phenylethenyl)phenyl]-1,3,4-oxadiazole
CID 59957450
2-(1,3-benzodioxol-5-yl)-5-(3,4-dichlorophenyl)-1,3,4-oxadiazole
CID 903866
2-naphthalen-2-yl-5-[4-(2-naphthalen-1-ylethenyl)phenyl]-1,3,4-oxadiazole
CID 3893702
(Z)-3-[4-(3,4-dichlorophenyl)phenyl]prop-2-enamide
CID 170876865
2-naphthalen-2-yl-5-[4-[(E)-2-[4-(5-phenyl-1,3-oxazol-2-yl)phenyl]ethenyl]phenyl]-1,3,4-oxadiazole
CID 22310206
2,5-bis[4-(2,3,4,5,6-pentakis-phenylphenyl)phenyl]-1,3,4-oxadiazole
CID 101440187
2-(4-ethenylphenyl)-5-(4-phenylphenyl)-1,3,4-oxadiazole
CID 59816346
2-chloro-5-(4-chloro-3-fluorophenyl)-1,3,4-oxadiazole
CID 107996197
4-[(E)-2-(3,4-dichlorophenyl)ethenyl]-2,6-dimethylphenol
CID 71463708
2-(4-methylphenyl)-5-(2-phenylethenyl)-1,3,4-oxadiazole
CID 3170416

Frequently Asked Questions

What is the IUPAC name of 2,5-bis[4-[(E)-2-(3,4-dichlorophenyl)ethenyl]phenyl]-1,3,4-oxadiazole?
The IUPAC name of 2,5-bis[4-[(E)-2-(3,4-dichlorophenyl)ethenyl]phenyl]-1,3,4-oxadiazole (CID 102039656) is 2,5-bis[4-[(E)-2-(3,4-dichlorophenyl)ethenyl]phenyl]-1,3,4-oxadiazole.
What is the SMILES notation for 2,5-bis[4-[(E)-2-(3,4-dichlorophenyl)ethenyl]phenyl]-1,3,4-oxadiazole?
The canonical SMILES for 2,5-bis[4-[(E)-2-(3,4-dichlorophenyl)ethenyl]phenyl]-1,3,4-oxadiazole is Clc1ccc(/C=C/c2ccc(-c3nnc(-c4ccc(/C=C/c5ccc(Cl)c(Cl)c5)cc4)o3)cc2)cc1Cl.
What is the InChIKey of 2,5-bis[4-[(E)-2-(3,4-dichlorophenyl)ethenyl]phenyl]-1,3,4-oxadiazole?
The InChIKey is NXMNTIZPUBJXCZ-ZPUQHVIOSA-N. The full InChI is InChI=1S/C30H18Cl4N2O/c31-25-15-9-21(17-27(25)33)3-1-19-5-11-23(12-6-19)29-35-36-30(37-29)24-13-7-20(8-14-24)2-4-22-10-16-26(32)28(34)18-22/h1-18H/b3-1+,4-2+.
What are the key properties of 2,5-bis[4-[(E)-2-(3,4-dichlorophenyl)ethenyl]phenyl]-1,3,4-oxadiazole?
2,5-bis[4-[(E)-2-(3,4-dichlorophenyl)ethenyl]phenyl]-1,3,4-oxadiazole has a molecular weight of 564.30 g/mol, XLogP of 10.36, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-bis[4-[(E)-2-(3,4-dichlorophenyl)ethenyl]phenyl]-1,3,4-oxadiazole is sourced from PubChem (CID 102039656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).