2-phenyl-5-[4-(10-quinolin-6-ylanthracen-9-yl)phenyl]-1,3,4-oxadiazole

C37H23N3O — CID 59501361

IUPAC2-phenyl-5-[4-(10-quinolin-6-ylanthracen-9-yl)phenyl]-1,3,4-oxadiazole
SMILESc1ccc(-c2nnc(-c3ccc(-c4c5ccccc5c(-c5ccc6ncccc6c5)c5ccccc45)cc3)o2)cc1
InChIInChI=1S/C37H23N3O/c1-2-9-25(10-3-1)36-39-40-37(41-36)26-18-16-24(17-19-26)34-29-12-4-6-14-31(29)35(32-15-7-5-13-30(32)34)28-20-21-33-27(23-28)11-8-22-38-33/h1-23H
InChIKeyGPRXJVRMPBLVGE-UHFFFAOYSA-N
MW525.61 g/mol
LogP9.59
Rot. Bonds4

About 2-phenyl-5-[4-(10-quinolin-6-ylanthracen-9-yl)phenyl]-1,3,4-oxadiazole

2-phenyl-5-[4-(10-quinolin-6-ylanthracen-9-yl)phenyl]-1,3,4-oxadiazole (PubChem CID 59501361) has the molecular formula C37H23N3O and a molecular weight of 525.61 g/mol. Its IUPAC name is 2-phenyl-5-[4-(10-quinolin-6-ylanthracen-9-yl)phenyl]-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-phenyl-5-[4-(10-quinolin-6-ylanthracen-9-yl)phenyl]-1,3,4-oxadiazole
PubChem CID59501361
Molecular FormulaC37H23N3O
Molecular Weight525.61 g/mol
Exact Mass525.18
IUPAC Name2-phenyl-5-[4-(10-quinolin-6-ylanthracen-9-yl)phenyl]-1,3,4-oxadiazole
SMILESc1ccc(-c2nnc(-c3ccc(-c4c5ccccc5c(-c5ccc6ncccc6c5)c5ccccc45)cc3)o2)cc1
InChIInChI=1S/C37H23N3O/c1-2-9-25(10-3-1)36-39-40-37(41-36)26-18-16-24(17-19-26)34-29-12-4-6-14-31(29)35(32-15-7-5-13-30(32)34)28-20-21-33-27(23-28)11-8-22-38-33/h1-23H
InChIKeyGPRXJVRMPBLVGE-UHFFFAOYSA-N
XLogP9.59
TPSA51.81 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500525.61
LogP ≤ 59.59
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-quinolin-6-ylanthracen-9-yl)phenyl]-1,3,4-oxadiazole?
The IUPAC name of 2-phenyl-5-[4-(10-quinolin-6-ylanthracen-9-yl)phenyl]-1,3,4-oxadiazole (CID 59501361) is 2-phenyl-5-[4-(10-quinolin-6-ylanthracen-9-yl)phenyl]-1,3,4-oxadiazole.
What is the SMILES notation for 2-phenyl-5-[4-(10-quinolin-6-ylanthracen-9-yl)phenyl]-1,3,4-oxadiazole?
The canonical SMILES for 2-phenyl-5-[4-(10-quinolin-6-ylanthracen-9-yl)phenyl]-1,3,4-oxadiazole is c1ccc(-c2nnc(-c3ccc(-c4c5ccccc5c(-c5ccc6ncccc6c5)c5ccccc45)cc3)o2)cc1.
What is the InChIKey of 2-phenyl-5-[4-(10-quinolin-6-ylanthracen-9-yl)phenyl]-1,3,4-oxadiazole?
The InChIKey is GPRXJVRMPBLVGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H23N3O/c1-2-9-25(10-3-1)36-39-40-37(41-36)26-18-16-24(17-19-26)34-29-12-4-6-14-31(29)35(32-15-7-5-13-30(32)34)28-20-21-33-27(23-28)11-8-22-38-33/h1-23H.
What are the key properties of 2-phenyl-5-[4-(10-quinolin-6-ylanthracen-9-yl)phenyl]-1,3,4-oxadiazole?
2-phenyl-5-[4-(10-quinolin-6-ylanthracen-9-yl)phenyl]-1,3,4-oxadiazole has a molecular weight of 525.61 g/mol, XLogP of 9.59, 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-quinolin-6-ylanthracen-9-yl)phenyl]-1,3,4-oxadiazole is sourced from PubChem (CID 59501361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).