4-[2,3-bis[(E)-2-phenylethenyl]phenyl]oxadiazole

C24H18N2O — CID 20515573

IUPAC4-[2,3-bis[(E)-2-phenylethenyl]phenyl]oxadiazole
SMILESC(=C/c1cccc(-c2conn2)c1/C=C/c1ccccc1)\c1ccccc1
InChIInChI=1S/C24H18N2O/c1-3-8-19(9-4-1)14-16-21-12-7-13-23(24-18-27-26-25-24)22(21)17-15-20-10-5-2-6-11-20/h1-18H/b16-14+,17-15+
InChIKeyRVMFJNJWUXKKFH-YXLFCKQPSA-N
MW350.42 g/mol
LogP6.08
Rot. Bonds5

About 4-[2,3-bis[(E)-2-phenylethenyl]phenyl]oxadiazole

4-[2,3-bis[(E)-2-phenylethenyl]phenyl]oxadiazole (PubChem CID 20515573) has the molecular formula C24H18N2O and a molecular weight of 350.42 g/mol. Its IUPAC name is 4-[2,3-bis[(E)-2-phenylethenyl]phenyl]oxadiazole.

Molecular Properties

Compound Name4-[2,3-bis[(E)-2-phenylethenyl]phenyl]oxadiazole
PubChem CID20515573
Molecular FormulaC24H18N2O
Molecular Weight350.42 g/mol
Exact Mass350.14
IUPAC Name4-[2,3-bis[(E)-2-phenylethenyl]phenyl]oxadiazole
SMILESC(=C/c1cccc(-c2conn2)c1/C=C/c1ccccc1)\c1ccccc1
InChIInChI=1S/C24H18N2O/c1-3-8-19(9-4-1)14-16-21-12-7-13-23(24-18-27-26-25-24)22(21)17-15-20-10-5-2-6-11-20/h1-18H/b16-14+,17-15+
InChIKeyRVMFJNJWUXKKFH-YXLFCKQPSA-N
XLogP6.08
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500350.42
LogP ≤ 56.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 4-[2,3-bis[(E)-2-phenylethenyl]phenyl]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

2,6-bis[2-[(E)-2-phenylethenyl]phenyl]pyridine
CID 102597528
2,3-bis[(E)-2-phenylethenyl]aniline
CID 22251468
2-[2-(2-phenylethenyl)phenyl]pyridine
CID 67528933
bis(1,2-bis[(E)-2-phenylethenyl]benzene);sulfane
CID 68618408
tetrakis[2-[(E)-2-phenylethenyl]phenyl]silane
CID 22630526
1,2-bis(ethenyl)-3-[(E)-2-phenylethenyl]benzene
CID 20571999
1-[2,3-bis(2-phenylethenyl)phenyl]-4-phenylbuta-1,3-dien-2-amine
CID 173097180
2-[2-(2-phenylethenyl)phenyl]pyrimidine
CID 141475746
1-nitro-2,3-bis(2-phenylethenyl)benzene
CID 155903015
2-[(E)-2-phenylethenyl]phenolate
CID 23105470
4-phenyl-2-[2-[(E)-2-phenylethenyl]phenyl]-1,3-benzoxazole
CID 22377866
1-[(E)-2-phenylethenyl]-3-[3-[(E)-2-phenylethenyl]azulen-1-yl]azulene
CID 11167038

Frequently Asked Questions

What is the IUPAC name of 4-[2,3-bis[(E)-2-phenylethenyl]phenyl]oxadiazole?
The IUPAC name of 4-[2,3-bis[(E)-2-phenylethenyl]phenyl]oxadiazole (CID 20515573) is 4-[2,3-bis[(E)-2-phenylethenyl]phenyl]oxadiazole.
What is the SMILES notation for 4-[2,3-bis[(E)-2-phenylethenyl]phenyl]oxadiazole?
The canonical SMILES for 4-[2,3-bis[(E)-2-phenylethenyl]phenyl]oxadiazole is C(=C/c1cccc(-c2conn2)c1/C=C/c1ccccc1)\c1ccccc1.
What is the InChIKey of 4-[2,3-bis[(E)-2-phenylethenyl]phenyl]oxadiazole?
The InChIKey is RVMFJNJWUXKKFH-YXLFCKQPSA-N. The full InChI is InChI=1S/C24H18N2O/c1-3-8-19(9-4-1)14-16-21-12-7-13-23(24-18-27-26-25-24)22(21)17-15-20-10-5-2-6-11-20/h1-18H/b16-14+,17-15+.
What are the key properties of 4-[2,3-bis[(E)-2-phenylethenyl]phenyl]oxadiazole?
4-[2,3-bis[(E)-2-phenylethenyl]phenyl]oxadiazole has a molecular weight of 350.42 g/mol, XLogP of 6.08, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2,3-bis[(E)-2-phenylethenyl]phenyl]oxadiazole is sourced from PubChem (CID 20515573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).