2-(4-anthracen-9-ylphenyl)-5-phenyl-1,3,4-oxadiazole;3-(4-anthracen-9-ylphenyl)-5-phenyl-1,2,4-oxadiazole;2-(4-anthracen-9-ylphenyl)-5-phenyl-1,3-oxazole;4-(4-anthracen-9-ylphenyl)-2-phenyl-1,3-oxazole;2-(4-anthracen-9-ylphenyl)-5-(4-phenylphenyl)-1,3,4-oxadiazole

C148H96N8O5 — CID 157125544

About 2-(4-anthracen-9-ylphenyl)-5-phenyl-1,3,4-oxadiazole;3-(4-anthracen-9-ylphenyl)-5-phenyl-1,2,4-oxadiazole;2-(4-anthracen-9-ylphenyl)-5-phenyl-1,3-oxazole;4-(4-anthracen-9-ylphenyl)-2-phenyl-1,3-oxazole;2-(4-anthracen-9-ylphenyl)-5-(4-phenylphenyl)-1,3,4-oxadiazole

2-(4-anthracen-9-ylphenyl)-5-phenyl-1,3,4-oxadiazole;3-(4-anthracen-9-ylphenyl)-5-phenyl-1,2,4-oxadiazole;2-(4-anthracen-9-ylphenyl)-5-phenyl-1,3-oxazole;4-(4-anthracen-9-ylphenyl)-2-phenyl-1,3-oxazole;2-(4-anthracen-9-ylphenyl)-5-(4-phenylphenyl)-1,3,4-oxadiazole (PubChem CID 157125544) has the molecular formula C148H96N8O5 and a molecular weight of 2066.45 g/mol. Its IUPAC name is 2-(4-anthracen-9-ylphenyl)-5-phenyl-1,3,4-oxadiazole;3-(4-anthracen-9-ylphenyl)-5-phenyl-1,2,4-oxadiazole;2-(4-anthracen-9-ylphenyl)-5-phenyl-1,3-oxazole;4-(4-anthracen-9-ylphenyl)-2-phenyl-1,3-oxazole;2-(4-anthracen-9-ylphenyl)-5-(4-phenylphenyl)-1,3,4-oxadiazole.

Molecular Properties

• Compound Name: 2-(4-anthracen-9-ylphenyl)-5-phenyl-1,3,4-oxadiazole;3-(4-anthracen-9-ylphenyl)-5-phenyl-1,2,4-oxadiazole;2-(4-anthracen-9-ylphenyl)-5-phenyl-1,3-oxazole;4-(4-anthracen-9-ylphenyl)-2-phenyl-1,3-oxazole;2-(4-anthracen-9-ylphenyl)-5-(4-phenylphenyl)-1,3,4-oxadiazole
• PubChem CID: 157125544
• Molecular Formula: C148H96N8O5
• Molecular Weight: 2066.45 g/mol
• Exact Mass: 2064.75
• IUPAC Name: 2-(4-anthracen-9-ylphenyl)-5-phenyl-1,3,4-oxadiazole;3-(4-anthracen-9-ylphenyl)-5-phenyl-1,2,4-oxadiazole;2-(4-anthracen-9-ylphenyl)-5-phenyl-1,3-oxazole;4-(4-anthracen-9-ylphenyl)-2-phenyl-1,3-oxazole;2-(4-anthracen-9-ylphenyl)-5-(4-phenylphenyl)-1,3,4-oxadiazole
• SMILES: c1ccc(-c2ccc(-c3nnc(-c4ccc(-c5c6ccccc6cc6ccccc56)cc4)o3)cc2)cc1.c1ccc(-c2cnc(-c3ccc(-c4c5ccccc5cc5ccccc45)cc3)o2)cc1.c1ccc(-c2nc(-c3ccc(-c4c5ccccc5cc5ccccc45)cc3)co2)cc1.c1ccc(-c2nc(-c3ccc(-c4c5ccccc5cc5ccccc45)cc3)no2)cc1.c1ccc(-c2nnc(-c3ccc(-c4c5ccccc5cc5ccccc45)cc3)o2)cc1
• InChI: InChI=1S/C34H22N2O.2C29H19NO.2C28H18N2O/c1-2-8-23(9-3-1)24-14-18-26(19-15-24)33-35-36-34(37-33)27-20-16-25(17-21-27)32-30-12-6-4-10-28(30)22-29-11-5-7-13-31(29)32;1-2-8-22(9-3-1)29-30-27(19-31-29)20-14-16-21(17-15-20)28-25-12-6-4-10-23(25)18-24-11-5-7-13-26(24)28;1-2-8-20(9-3-1)27-19-30-29(31-27)22-16-14-21(15-17-22)28-25-12-6-4-10-23(25)18-24-11-5-7-13-26(24)28;1-2-8-21(9-3-1)28-29-27(30-31-28)20-16-14-19(15-17-20)26-24-12-6-4-10-22(24)18-23-11-5-7-13-25(23)26;1-2-8-20(9-3-1)27-29-30-28(31-27)21-16-14-19(15-17-21)26-24-12-6-4-10-22(24)18-23-11-5-7-13-25(23)26/h1-22H;2*1-19H;2*1-18H
• InChIKey: AILTWMNGJSKXGX-UHFFFAOYSA-N
• XLogP: 39.76
• TPSA: 168.82 Ų
• H-Bond Acceptors: 13
• Rotatable Bonds: 16
• Heavy Atoms: 161
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2066.45
LogP ≤ 5	39.76
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	13

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-(4-anthracen-9-ylphenyl)-5-phenyl-1,3,4-oxadiazole;3-(4-anthracen-9-ylphenyl)-5-phenyl-1,2,4-oxadiazole;2-(4-anthracen-9-ylphenyl)-5-phenyl-1,3-oxazole;4-(4-anthracen-9-ylphenyl)-2-phenyl-1,3-oxazole;2-(4-anthracen-9-ylphenyl)-5-(4-phenylphenyl)-1,3,4-oxadiazole?

The IUPAC name of 2-(4-anthracen-9-ylphenyl)-5-phenyl-1,3,4-oxadiazole;3-(4-anthracen-9-ylphenyl)-5-phenyl-1,2,4-oxadiazole;2-(4-anthracen-9-ylphenyl)-5-phenyl-1,3-oxazole;4-(4-anthracen-9-ylphenyl)-2-phenyl-1,3-oxazole;2-(4-anthracen-9-ylphenyl)-5-(4-phenylphenyl)-1,3,4-oxadiazole (CID 157125544) is 2-(4-anthracen-9-ylphenyl)-5-phenyl-1,3,4-oxadiazole;3-(4-anthracen-9-ylphenyl)-5-phenyl-1,2,4-oxadiazole;2-(4-anthracen-9-ylphenyl)-5-phenyl-1,3-oxazole;4-(4-anthracen-9-ylphenyl)-2-phenyl-1,3-oxazole;2-(4-anthracen-9-ylphenyl)-5-(4-phenylphenyl)-1,3,4-oxadiazole.

What is the SMILES notation for 2-(4-anthracen-9-ylphenyl)-5-phenyl-1,3,4-oxadiazole;3-(4-anthracen-9-ylphenyl)-5-phenyl-1,2,4-oxadiazole;2-(4-anthracen-9-ylphenyl)-5-phenyl-1,3-oxazole;4-(4-anthracen-9-ylphenyl)-2-phenyl-1,3-oxazole;2-(4-anthracen-9-ylphenyl)-5-(4-phenylphenyl)-1,3,4-oxadiazole?

The canonical SMILES for 2-(4-anthracen-9-ylphenyl)-5-phenyl-1,3,4-oxadiazole;3-(4-anthracen-9-ylphenyl)-5-phenyl-1,2,4-oxadiazole;2-(4-anthracen-9-ylphenyl)-5-phenyl-1,3-oxazole;4-(4-anthracen-9-ylphenyl)-2-phenyl-1,3-oxazole;2-(4-anthracen-9-ylphenyl)-5-(4-phenylphenyl)-1,3,4-oxadiazole is c1ccc(-c2ccc(-c3nnc(-c4ccc(-c5c6ccccc6cc6ccccc56)cc4)o3)cc2)cc1.c1ccc(-c2cnc(-c3ccc(-c4c5ccccc5cc5ccccc45)cc3)o2)cc1.c1ccc(-c2nc(-c3ccc(-c4c5ccccc5cc5ccccc45)cc3)co2)cc1.c1ccc(-c2nc(-c3ccc(-c4c5ccccc5cc5ccccc45)cc3)no2)cc1.c1ccc(-c2nnc(-c3ccc(-c4c5ccccc5cc5ccccc45)cc3)o2)cc1.

What is the InChIKey of 2-(4-anthracen-9-ylphenyl)-5-phenyl-1,3,4-oxadiazole;3-(4-anthracen-9-ylphenyl)-5-phenyl-1,2,4-oxadiazole;2-(4-anthracen-9-ylphenyl)-5-phenyl-1,3-oxazole;4-(4-anthracen-9-ylphenyl)-2-phenyl-1,3-oxazole;2-(4-anthracen-9-ylphenyl)-5-(4-phenylphenyl)-1,3,4-oxadiazole?

The InChIKey is AILTWMNGJSKXGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H22N2O.2C29H19NO.2C28H18N2O/c1-2-8-23(9-3-1)24-14-18-26(19-15-24)33-35-36-34(37-33)27-20-16-25(17-21-27)32-30-12-6-4-10-28(30)22-29-11-5-7-13-31(29)32;1-2-8-22(9-3-1)29-30-27(19-31-29)20-14-16-21(17-15-20)28-25-12-6-4-10-23(25)18-24-11-5-7-13-26(24)28;1-2-8-20(9-3-1)27-19-30-29(31-27)22-16-14-21(15-17-22)28-25-12-6-4-10-23(25)18-24-11-5-7-13-26(24)28;1-2-8-21(9-3-1)28-29-27(30-31-28)20-16-14-19(15-17-20)26-24-12-6-4-10-22(24)18-23-11-5-7-13-25(23)26;1-2-8-20(9-3-1)27-29-30-28(31-27)21-16-14-19(15-17-21)26-24-12-6-4-10-22(24)18-23-11-5-7-13-25(23)26/h1-22H;2*1-19H;2*1-18H.

What are the key properties of 2-(4-anthracen-9-ylphenyl)-5-phenyl-1,3,4-oxadiazole;3-(4-anthracen-9-ylphenyl)-5-phenyl-1,2,4-oxadiazole;2-(4-anthracen-9-ylphenyl)-5-phenyl-1,3-oxazole;4-(4-anthracen-9-ylphenyl)-2-phenyl-1,3-oxazole;2-(4-anthracen-9-ylphenyl)-5-(4-phenylphenyl)-1,3,4-oxadiazole?

2-(4-anthracen-9-ylphenyl)-5-phenyl-1,3,4-oxadiazole;3-(4-anthracen-9-ylphenyl)-5-phenyl-1,2,4-oxadiazole;2-(4-anthracen-9-ylphenyl)-5-phenyl-1,3-oxazole;4-(4-anthracen-9-ylphenyl)-2-phenyl-1,3-oxazole;2-(4-anthracen-9-ylphenyl)-5-(4-phenylphenyl)-1,3,4-oxadiazole has a molecular weight of 2066.45 g/mol, XLogP of 39.76, 16 rotatable bonds, 0 hydrogen bond donors, and 13 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(4-anthracen-9-ylphenyl)-5-phenyl-1,3,4-oxadiazole;3-(4-anthracen-9-ylphenyl)-5-phenyl-1,2,4-oxadiazole;2-(4-anthracen-9-ylphenyl)-5-phenyl-1,3-oxazole;4-(4-anthracen-9-ylphenyl)-2-phenyl-1,3-oxazole;2-(4-anthracen-9-ylphenyl)-5-(4-phenylphenyl)-1,3,4-oxadiazole is sourced from PubChem (CID 157125544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).