2-phenyl-5-[4-(10-pyridin-2-ylanthracen-9-yl)phenyl]-1,3,4-oxadiazole

C33H21N3O — CID 59501373

IUPAC2-phenyl-5-[4-(10-pyridin-2-ylanthracen-9-yl)phenyl]-1,3,4-oxadiazole
SMILESc1ccc(-c2nnc(-c3ccc(-c4c5ccccc5c(-c5ccccn5)c5ccccc45)cc3)o2)cc1
InChIInChI=1S/C33H21N3O/c1-2-10-23(11-3-1)32-35-36-33(37-32)24-19-17-22(18-20-24)30-25-12-4-6-14-27(25)31(29-16-8-9-21-34-29)28-15-7-5-13-26(28)30/h1-21H
InChIKeyOTOLOJRIUSICCG-UHFFFAOYSA-N
MW475.55 g/mol
LogP8.44
Rot. Bonds4

About 2-phenyl-5-[4-(10-pyridin-2-ylanthracen-9-yl)phenyl]-1,3,4-oxadiazole

2-phenyl-5-[4-(10-pyridin-2-ylanthracen-9-yl)phenyl]-1,3,4-oxadiazole (PubChem CID 59501373) has the molecular formula C33H21N3O and a molecular weight of 475.55 g/mol. Its IUPAC name is 2-phenyl-5-[4-(10-pyridin-2-ylanthracen-9-yl)phenyl]-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-phenyl-5-[4-(10-pyridin-2-ylanthracen-9-yl)phenyl]-1,3,4-oxadiazole
PubChem CID59501373
Molecular FormulaC33H21N3O
Molecular Weight475.55 g/mol
Exact Mass475.17
IUPAC Name2-phenyl-5-[4-(10-pyridin-2-ylanthracen-9-yl)phenyl]-1,3,4-oxadiazole
SMILESc1ccc(-c2nnc(-c3ccc(-c4c5ccccc5c(-c5ccccn5)c5ccccc45)cc3)o2)cc1
InChIInChI=1S/C33H21N3O/c1-2-10-23(11-3-1)32-35-36-33(37-32)24-19-17-22(18-20-24)30-25-12-4-6-14-27(25)31(29-16-8-9-21-34-29)28-15-7-5-13-26(28)30/h1-21H
InChIKeyOTOLOJRIUSICCG-UHFFFAOYSA-N
XLogP8.44
TPSA51.81 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500475.55
LogP ≤ 58.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-phenyl-5-[4-(10-pyridin-2-ylanthracen-9-yl)phenyl]-1,3,4-oxadiazole?
The IUPAC name of 2-phenyl-5-[4-(10-pyridin-2-ylanthracen-9-yl)phenyl]-1,3,4-oxadiazole (CID 59501373) is 2-phenyl-5-[4-(10-pyridin-2-ylanthracen-9-yl)phenyl]-1,3,4-oxadiazole.
What is the SMILES notation for 2-phenyl-5-[4-(10-pyridin-2-ylanthracen-9-yl)phenyl]-1,3,4-oxadiazole?
The canonical SMILES for 2-phenyl-5-[4-(10-pyridin-2-ylanthracen-9-yl)phenyl]-1,3,4-oxadiazole is c1ccc(-c2nnc(-c3ccc(-c4c5ccccc5c(-c5ccccn5)c5ccccc45)cc3)o2)cc1.
What is the InChIKey of 2-phenyl-5-[4-(10-pyridin-2-ylanthracen-9-yl)phenyl]-1,3,4-oxadiazole?
The InChIKey is OTOLOJRIUSICCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H21N3O/c1-2-10-23(11-3-1)32-35-36-33(37-32)24-19-17-22(18-20-24)30-25-12-4-6-14-27(25)31(29-16-8-9-21-34-29)28-15-7-5-13-26(28)30/h1-21H.
What are the key properties of 2-phenyl-5-[4-(10-pyridin-2-ylanthracen-9-yl)phenyl]-1,3,4-oxadiazole?
2-phenyl-5-[4-(10-pyridin-2-ylanthracen-9-yl)phenyl]-1,3,4-oxadiazole has a molecular weight of 475.55 g/mol, XLogP of 8.44, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-5-[4-(10-pyridin-2-ylanthracen-9-yl)phenyl]-1,3,4-oxadiazole is sourced from PubChem (CID 59501373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).