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

C36H22N4O — CID 59501396

IUPAC2-phenyl-5-[4-(10-quinazolin-4-ylanthracen-9-yl)phenyl]-1,3,4-oxadiazole
SMILESc1ccc(-c2nnc(-c3ccc(-c4c5ccccc5c(-c5ncnc6ccccc56)c5ccccc45)cc3)o2)cc1
InChIInChI=1S/C36H22N4O/c1-2-10-24(11-3-1)35-39-40-36(41-35)25-20-18-23(19-21-25)32-26-12-4-6-14-28(26)33(29-15-7-5-13-27(29)32)34-30-16-8-9-17-31(30)37-22-38-34/h1-22H
InChIKeyJUHUOGPTWLXBNP-UHFFFAOYSA-N
MW526.60 g/mol
LogP8.99
Rot. Bonds4

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

2-phenyl-5-[4-(10-quinazolin-4-ylanthracen-9-yl)phenyl]-1,3,4-oxadiazole (PubChem CID 59501396) has the molecular formula C36H22N4O and a molecular weight of 526.60 g/mol. Its IUPAC name is 2-phenyl-5-[4-(10-quinazolin-4-ylanthracen-9-yl)phenyl]-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-phenyl-5-[4-(10-quinazolin-4-ylanthracen-9-yl)phenyl]-1,3,4-oxadiazole
PubChem CID59501396
Molecular FormulaC36H22N4O
Molecular Weight526.60 g/mol
Exact Mass526.18
IUPAC Name2-phenyl-5-[4-(10-quinazolin-4-ylanthracen-9-yl)phenyl]-1,3,4-oxadiazole
SMILESc1ccc(-c2nnc(-c3ccc(-c4c5ccccc5c(-c5ncnc6ccccc56)c5ccccc45)cc3)o2)cc1
InChIInChI=1S/C36H22N4O/c1-2-10-24(11-3-1)35-39-40-36(41-35)25-20-18-23(19-21-25)32-26-12-4-6-14-28(26)33(29-15-7-5-13-27(29)32)34-30-16-8-9-17-31(30)37-22-38-34/h1-22H
InChIKeyJUHUOGPTWLXBNP-UHFFFAOYSA-N
XLogP8.99
TPSA64.70 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500526.60
LogP ≤ 58.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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-quinazolin-4-ylanthracen-9-yl)phenyl]-1,3,4-oxadiazole?
The IUPAC name of 2-phenyl-5-[4-(10-quinazolin-4-ylanthracen-9-yl)phenyl]-1,3,4-oxadiazole (CID 59501396) is 2-phenyl-5-[4-(10-quinazolin-4-ylanthracen-9-yl)phenyl]-1,3,4-oxadiazole.
What is the SMILES notation for 2-phenyl-5-[4-(10-quinazolin-4-ylanthracen-9-yl)phenyl]-1,3,4-oxadiazole?
The canonical SMILES for 2-phenyl-5-[4-(10-quinazolin-4-ylanthracen-9-yl)phenyl]-1,3,4-oxadiazole is c1ccc(-c2nnc(-c3ccc(-c4c5ccccc5c(-c5ncnc6ccccc56)c5ccccc45)cc3)o2)cc1.
What is the InChIKey of 2-phenyl-5-[4-(10-quinazolin-4-ylanthracen-9-yl)phenyl]-1,3,4-oxadiazole?
The InChIKey is JUHUOGPTWLXBNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H22N4O/c1-2-10-24(11-3-1)35-39-40-36(41-35)25-20-18-23(19-21-25)32-26-12-4-6-14-28(26)33(29-15-7-5-13-27(29)32)34-30-16-8-9-17-31(30)37-22-38-34/h1-22H.
What are the key properties of 2-phenyl-5-[4-(10-quinazolin-4-ylanthracen-9-yl)phenyl]-1,3,4-oxadiazole?
2-phenyl-5-[4-(10-quinazolin-4-ylanthracen-9-yl)phenyl]-1,3,4-oxadiazole has a molecular weight of 526.60 g/mol, XLogP of 8.99, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-5-[4-(10-quinazolin-4-ylanthracen-9-yl)phenyl]-1,3,4-oxadiazole is sourced from PubChem (CID 59501396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).