5-anthracen-1-yl-4-[2-(5-anthracen-1-yloxadiazol-4-yl)phenyl]oxadiazole

C38H22N4O2 — CID 22345820

IUPAC5-anthracen-1-yl-4-[2-(5-anthracen-1-yloxadiazol-4-yl)phenyl]oxadiazole
SMILESc1ccc(-c2nnoc2-c2cccc3cc4ccccc4cc23)c(-c2nnoc2-c2cccc3cc4ccccc4cc23)c1
InChIInChI=1S/C38H22N4O2/c1-3-11-25-21-33-27(19-23(25)9-1)13-7-17-31(33)37-35(39-41-43-37)29-15-5-6-16-30(29)36-38(44-42-40-36)32-18-8-14-28-20-24-10-2-4-12-26(24)22-34(28)32/h1-22H
InChIKeyHHIPRFRYQGGGIO-UHFFFAOYSA-N
MW566.62 g/mol
LogP9.73
Rot. Bonds4

About 5-anthracen-1-yl-4-[2-(5-anthracen-1-yloxadiazol-4-yl)phenyl]oxadiazole

5-anthracen-1-yl-4-[2-(5-anthracen-1-yloxadiazol-4-yl)phenyl]oxadiazole (PubChem CID 22345820) has the molecular formula C38H22N4O2 and a molecular weight of 566.62 g/mol. Its IUPAC name is 5-anthracen-1-yl-4-[2-(5-anthracen-1-yloxadiazol-4-yl)phenyl]oxadiazole.

Molecular Properties

Compound Name5-anthracen-1-yl-4-[2-(5-anthracen-1-yloxadiazol-4-yl)phenyl]oxadiazole
PubChem CID22345820
Molecular FormulaC38H22N4O2
Molecular Weight566.62 g/mol
Exact Mass566.17
IUPAC Name5-anthracen-1-yl-4-[2-(5-anthracen-1-yloxadiazol-4-yl)phenyl]oxadiazole
SMILESc1ccc(-c2nnoc2-c2cccc3cc4ccccc4cc23)c(-c2nnoc2-c2cccc3cc4ccccc4cc23)c1
InChIInChI=1S/C38H22N4O2/c1-3-11-25-21-33-27(19-23(25)9-1)13-7-17-31(33)37-35(39-41-43-37)29-15-5-6-16-30(29)36-38(44-42-40-36)32-18-8-14-28-20-24-10-2-4-12-26(24)22-34(28)32/h1-22H
InChIKeyHHIPRFRYQGGGIO-UHFFFAOYSA-N
XLogP9.73
TPSA77.84 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500566.62
LogP ≤ 59.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

Analyze 5-anthracen-1-yl-4-[2-(5-anthracen-1-yloxadiazol-4-yl)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

Phenylbiphenylyloxadiazole
CID 53660344
Biphenylyl-phenyl-oxadiazol
CID 67314770
4-[2-(4-Fluorobutyl)phenyl]-5-(4-phenylphenyl)oxadiazole
CID 69173732
4-[5-[4-Cyano-2-(3-ethynylphenyl)phenyl]oxadiazol-4-yl]-3-(3-ethynylphenyl)benzonitrile
CID 91213540
5-(2-Tert-butylphenyl)-4-(2-phenylphenyl)oxadiazole
CID 20058888
4,5-bis[2-[(E)-2-phenylethenyl]phenyl]oxadiazole
CID 20384503
5-Phenyl-4-[4-(5-phenyloxadiazol-4-yl)phenyl]oxadiazole
CID 22023103
4-(2-Butylphenyl)-5-(2-phenylphenyl)oxadiazole
CID 22272066
5-Anthracen-1-yl-4-[2,3-bis(5-anthracen-1-yloxadiazol-4-yl)phenyl]oxadiazole
CID 22345830
5-(2-Tert-butylphenyl)-4-(4-phenylphenyl)oxadiazole
CID 22731611
4,5-Dinaphthalen-1-yloxadiazole
CID 23033114
5-(2-Butylphenyl)-4-(2-phenylphenyl)oxadiazole
CID 54168417

Frequently Asked Questions

What is the IUPAC name of 5-anthracen-1-yl-4-[2-(5-anthracen-1-yloxadiazol-4-yl)phenyl]oxadiazole?
The IUPAC name of 5-anthracen-1-yl-4-[2-(5-anthracen-1-yloxadiazol-4-yl)phenyl]oxadiazole (CID 22345820) is 5-anthracen-1-yl-4-[2-(5-anthracen-1-yloxadiazol-4-yl)phenyl]oxadiazole.
What is the SMILES notation for 5-anthracen-1-yl-4-[2-(5-anthracen-1-yloxadiazol-4-yl)phenyl]oxadiazole?
The canonical SMILES for 5-anthracen-1-yl-4-[2-(5-anthracen-1-yloxadiazol-4-yl)phenyl]oxadiazole is c1ccc(-c2nnoc2-c2cccc3cc4ccccc4cc23)c(-c2nnoc2-c2cccc3cc4ccccc4cc23)c1.
What is the InChIKey of 5-anthracen-1-yl-4-[2-(5-anthracen-1-yloxadiazol-4-yl)phenyl]oxadiazole?
The InChIKey is HHIPRFRYQGGGIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H22N4O2/c1-3-11-25-21-33-27(19-23(25)9-1)13-7-17-31(33)37-35(39-41-43-37)29-15-5-6-16-30(29)36-38(44-42-40-36)32-18-8-14-28-20-24-10-2-4-12-26(24)22-34(28)32/h1-22H.
What are the key properties of 5-anthracen-1-yl-4-[2-(5-anthracen-1-yloxadiazol-4-yl)phenyl]oxadiazole?
5-anthracen-1-yl-4-[2-(5-anthracen-1-yloxadiazol-4-yl)phenyl]oxadiazole has a molecular weight of 566.62 g/mol, XLogP of 9.73, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-anthracen-1-yl-4-[2-(5-anthracen-1-yloxadiazol-4-yl)phenyl]oxadiazole is sourced from PubChem (CID 22345820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).