2-[2-[10-[4-(1,3-oxazol-2-yl)-2-pyridinyl]-2-(3-phenylphenyl)anthracen-9-yl]-4-pyridinyl]-1,3-oxazole;2-[2-[10-[4-(1,3-oxazol-2-yl)-2-pyridinyl]-2-(4-phenylphenyl)anthracen-9-yl]-4-pyridinyl]-1,3-oxazole;2-[2-[2-(3-phenylphenyl)-10-[4-(1,3-thiazol-2-yl)-2-pyridinyl]anthracen-9-yl]-4-pyridinyl]-1,3-thiazole;2-[2-[2-(4-phenylphenyl)-10-[4-(1,3-thiazol-2-yl)-2-pyridinyl]anthracen-9-yl]-4-pyridinyl]-1,3-thiazole

C168H104N16O4S4 — CID 157119935

About 2-[2-[10-[4-(1,3-oxazol-2-yl)-2-pyridinyl]-2-(3-phenylphenyl)anthracen-9-yl]-4-pyridinyl]-1,3-oxazole;2-[2-[10-[4-(1,3-oxazol-2-yl)-2-pyridinyl]-2-(4-phenylphenyl)anthracen-9-yl]-4-pyridinyl]-1,3-oxazole;2-[2-[2-(3-phenylphenyl)-10-[4-(1,3-thiazol-2-yl)-2-pyridinyl]anthracen-9-yl]-4-pyridinyl]-1,3-thiazole;2-[2-[2-(4-phenylphenyl)-10-[4-(1,3-thiazol-2-yl)-2-pyridinyl]anthracen-9-yl]-4-pyridinyl]-1,3-thiazole

2-[2-[10-[4-(1,3-oxazol-2-yl)-2-pyridinyl]-2-(3-phenylphenyl)anthracen-9-yl]-4-pyridinyl]-1,3-oxazole;2-[2-[10-[4-(1,3-oxazol-2-yl)-2-pyridinyl]-2-(4-phenylphenyl)anthracen-9-yl]-4-pyridinyl]-1,3-oxazole;2-[2-[2-(3-phenylphenyl)-10-[4-(1,3-thiazol-2-yl)-2-pyridinyl]anthracen-9-yl]-4-pyridinyl]-1,3-thiazole;2-[2-[2-(4-phenylphenyl)-10-[4-(1,3-thiazol-2-yl)-2-pyridinyl]anthracen-9-yl]-4-pyridinyl]-1,3-thiazole (PubChem CID 157119935) has the molecular formula C168H104N16O4S4 and a molecular weight of 2539.06 g/mol. Its IUPAC name is 2-[2-[10-[4-(1,3-oxazol-2-yl)-2-pyridinyl]-2-(3-phenylphenyl)anthracen-9-yl]-4-pyridinyl]-1,3-oxazole;2-[2-[10-[4-(1,3-oxazol-2-yl)-2-pyridinyl]-2-(4-phenylphenyl)anthracen-9-yl]-4-pyridinyl]-1,3-oxazole;2-[2-[2-(3-phenylphenyl)-10-[4-(1,3-thiazol-2-yl)-2-pyridinyl]anthracen-9-yl]-4-pyridinyl]-1,3-thiazole;2-[2-[2-(4-phenylphenyl)-10-[4-(1,3-thiazol-2-yl)-2-pyridinyl]anthracen-9-yl]-4-pyridinyl]-1,3-thiazole.

Molecular Properties

• Compound Name: 2-[2-[10-[4-(1,3-oxazol-2-yl)-2-pyridinyl]-2-(3-phenylphenyl)anthracen-9-yl]-4-pyridinyl]-1,3-oxazole;2-[2-[10-[4-(1,3-oxazol-2-yl)-2-pyridinyl]-2-(4-phenylphenyl)anthracen-9-yl]-4-pyridinyl]-1,3-oxazole;2-[2-[2-(3-phenylphenyl)-10-[4-(1,3-thiazol-2-yl)-2-pyridinyl]anthracen-9-yl]-4-pyridinyl]-1,3-thiazole;2-[2-[2-(4-phenylphenyl)-10-[4-(1,3-thiazol-2-yl)-2-pyridinyl]anthracen-9-yl]-4-pyridinyl]-1,3-thiazole
• PubChem CID: 157119935
• Molecular Formula: C168H104N16O4S4
• Molecular Weight: 2539.06 g/mol
• Exact Mass: 2536.73
• IUPAC Name: 2-[2-[10-[4-(1,3-oxazol-2-yl)-2-pyridinyl]-2-(3-phenylphenyl)anthracen-9-yl]-4-pyridinyl]-1,3-oxazole;2-[2-[10-[4-(1,3-oxazol-2-yl)-2-pyridinyl]-2-(4-phenylphenyl)anthracen-9-yl]-4-pyridinyl]-1,3-oxazole;2-[2-[2-(3-phenylphenyl)-10-[4-(1,3-thiazol-2-yl)-2-pyridinyl]anthracen-9-yl]-4-pyridinyl]-1,3-thiazole;2-[2-[2-(4-phenylphenyl)-10-[4-(1,3-thiazol-2-yl)-2-pyridinyl]anthracen-9-yl]-4-pyridinyl]-1,3-thiazole
• SMILES: c1ccc(-c2ccc(-c3ccc4c(-c5cc(-c6ncco6)ccn5)c5ccccc5c(-c5cc(-c6ncco6)ccn5)c4c3)cc2)cc1.c1ccc(-c2ccc(-c3ccc4c(-c5cc(-c6nccs6)ccn5)c5ccccc5c(-c5cc(-c6nccs6)ccn5)c4c3)cc2)cc1.c1ccc(-c2cccc(-c3ccc4c(-c5cc(-c6ncco6)ccn5)c5ccccc5c(-c5cc(-c6ncco6)ccn5)c4c3)c2)cc1.c1ccc(-c2cccc(-c3ccc4c(-c5cc(-c6nccs6)ccn5)c5ccccc5c(-c5cc(-c6nccs6)ccn5)c4c3)c2)cc1
• InChI: InChI=1S/2C42H26N4O2.2C42H26N4S2/c1-2-7-27(8-3-1)28-9-6-10-29(23-28)30-13-14-35-36(24-30)40(38-26-32(16-18-44-38)42-46-20-22-48-42)34-12-5-4-11-33(34)39(35)37-25-31(15-17-43-37)41-45-19-21-47-41;1-2-6-27(7-3-1)28-10-12-29(13-11-28)30-14-15-35-36(24-30)40(38-26-32(17-19-44-38)42-46-21-23-48-42)34-9-5-4-8-33(34)39(35)37-25-31(16-18-43-37)41-45-20-22-47-41;1-2-7-27(8-3-1)28-9-6-10-29(23-28)30-13-14-35-36(24-30)40(38-26-32(16-18-44-38)42-46-20-22-48-42)34-12-5-4-11-33(34)39(35)37-25-31(15-17-43-37)41-45-19-21-47-41;1-2-6-27(7-3-1)28-10-12-29(13-11-28)30-14-15-35-36(24-30)40(38-26-32(17-19-44-38)42-46-21-23-48-42)34-9-5-4-8-33(34)39(35)37-25-31(16-18-43-37)41-45-20-22-47-41/h4*1-26H
• InChIKey: AHVSPNSSUNHAAW-UHFFFAOYSA-N
• XLogP: 44.92
• TPSA: 258.80 Ų
• H-Bond Acceptors: 24
• Rotatable Bonds: 24
• Heavy Atoms: 192
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2539.06
LogP ≤ 5	44.92
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	24

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-[2-[10-[4-(1,3-oxazol-2-yl)-2-pyridinyl]-2-(3-phenylphenyl)anthracen-9-yl]-4-pyridinyl]-1,3-oxazole;2-[2-[10-[4-(1,3-oxazol-2-yl)-2-pyridinyl]-2-(4-phenylphenyl)anthracen-9-yl]-4-pyridinyl]-1,3-oxazole;2-[2-[2-(3-phenylphenyl)-10-[4-(1,3-thiazol-2-yl)-2-pyridinyl]anthracen-9-yl]-4-pyridinyl]-1,3-thiazole;2-[2-[2-(4-phenylphenyl)-10-[4-(1,3-thiazol-2-yl)-2-pyridinyl]anthracen-9-yl]-4-pyridinyl]-1,3-thiazole?

The IUPAC name of 2-[2-[10-[4-(1,3-oxazol-2-yl)-2-pyridinyl]-2-(3-phenylphenyl)anthracen-9-yl]-4-pyridinyl]-1,3-oxazole;2-[2-[10-[4-(1,3-oxazol-2-yl)-2-pyridinyl]-2-(4-phenylphenyl)anthracen-9-yl]-4-pyridinyl]-1,3-oxazole;2-[2-[2-(3-phenylphenyl)-10-[4-(1,3-thiazol-2-yl)-2-pyridinyl]anthracen-9-yl]-4-pyridinyl]-1,3-thiazole;2-[2-[2-(4-phenylphenyl)-10-[4-(1,3-thiazol-2-yl)-2-pyridinyl]anthracen-9-yl]-4-pyridinyl]-1,3-thiazole (CID 157119935) is 2-[2-[10-[4-(1,3-oxazol-2-yl)-2-pyridinyl]-2-(3-phenylphenyl)anthracen-9-yl]-4-pyridinyl]-1,3-oxazole;2-[2-[10-[4-(1,3-oxazol-2-yl)-2-pyridinyl]-2-(4-phenylphenyl)anthracen-9-yl]-4-pyridinyl]-1,3-oxazole;2-[2-[2-(3-phenylphenyl)-10-[4-(1,3-thiazol-2-yl)-2-pyridinyl]anthracen-9-yl]-4-pyridinyl]-1,3-thiazole;2-[2-[2-(4-phenylphenyl)-10-[4-(1,3-thiazol-2-yl)-2-pyridinyl]anthracen-9-yl]-4-pyridinyl]-1,3-thiazole.

What is the SMILES notation for 2-[2-[10-[4-(1,3-oxazol-2-yl)-2-pyridinyl]-2-(3-phenylphenyl)anthracen-9-yl]-4-pyridinyl]-1,3-oxazole;2-[2-[10-[4-(1,3-oxazol-2-yl)-2-pyridinyl]-2-(4-phenylphenyl)anthracen-9-yl]-4-pyridinyl]-1,3-oxazole;2-[2-[2-(3-phenylphenyl)-10-[4-(1,3-thiazol-2-yl)-2-pyridinyl]anthracen-9-yl]-4-pyridinyl]-1,3-thiazole;2-[2-[2-(4-phenylphenyl)-10-[4-(1,3-thiazol-2-yl)-2-pyridinyl]anthracen-9-yl]-4-pyridinyl]-1,3-thiazole?

The canonical SMILES for 2-[2-[10-[4-(1,3-oxazol-2-yl)-2-pyridinyl]-2-(3-phenylphenyl)anthracen-9-yl]-4-pyridinyl]-1,3-oxazole;2-[2-[10-[4-(1,3-oxazol-2-yl)-2-pyridinyl]-2-(4-phenylphenyl)anthracen-9-yl]-4-pyridinyl]-1,3-oxazole;2-[2-[2-(3-phenylphenyl)-10-[4-(1,3-thiazol-2-yl)-2-pyridinyl]anthracen-9-yl]-4-pyridinyl]-1,3-thiazole;2-[2-[2-(4-phenylphenyl)-10-[4-(1,3-thiazol-2-yl)-2-pyridinyl]anthracen-9-yl]-4-pyridinyl]-1,3-thiazole is c1ccc(-c2ccc(-c3ccc4c(-c5cc(-c6ncco6)ccn5)c5ccccc5c(-c5cc(-c6ncco6)ccn5)c4c3)cc2)cc1.c1ccc(-c2ccc(-c3ccc4c(-c5cc(-c6nccs6)ccn5)c5ccccc5c(-c5cc(-c6nccs6)ccn5)c4c3)cc2)cc1.c1ccc(-c2cccc(-c3ccc4c(-c5cc(-c6ncco6)ccn5)c5ccccc5c(-c5cc(-c6ncco6)ccn5)c4c3)c2)cc1.c1ccc(-c2cccc(-c3ccc4c(-c5cc(-c6nccs6)ccn5)c5ccccc5c(-c5cc(-c6nccs6)ccn5)c4c3)c2)cc1.

What is the InChIKey of 2-[2-[10-[4-(1,3-oxazol-2-yl)-2-pyridinyl]-2-(3-phenylphenyl)anthracen-9-yl]-4-pyridinyl]-1,3-oxazole;2-[2-[10-[4-(1,3-oxazol-2-yl)-2-pyridinyl]-2-(4-phenylphenyl)anthracen-9-yl]-4-pyridinyl]-1,3-oxazole;2-[2-[2-(3-phenylphenyl)-10-[4-(1,3-thiazol-2-yl)-2-pyridinyl]anthracen-9-yl]-4-pyridinyl]-1,3-thiazole;2-[2-[2-(4-phenylphenyl)-10-[4-(1,3-thiazol-2-yl)-2-pyridinyl]anthracen-9-yl]-4-pyridinyl]-1,3-thiazole?

The InChIKey is AHVSPNSSUNHAAW-UHFFFAOYSA-N. The full InChI is InChI=1S/2C42H26N4O2.2C42H26N4S2/c1-2-7-27(8-3-1)28-9-6-10-29(23-28)30-13-14-35-36(24-30)40(38-26-32(16-18-44-38)42-46-20-22-48-42)34-12-5-4-11-33(34)39(35)37-25-31(15-17-43-37)41-45-19-21-47-41;1-2-6-27(7-3-1)28-10-12-29(13-11-28)30-14-15-35-36(24-30)40(38-26-32(17-19-44-38)42-46-21-23-48-42)34-9-5-4-8-33(34)39(35)37-25-31(16-18-43-37)41-45-20-22-47-41;1-2-7-27(8-3-1)28-9-6-10-29(23-28)30-13-14-35-36(24-30)40(38-26-32(16-18-44-38)42-46-20-22-48-42)34-12-5-4-11-33(34)39(35)37-25-31(15-17-43-37)41-45-19-21-47-41;1-2-6-27(7-3-1)28-10-12-29(13-11-28)30-14-15-35-36(24-30)40(38-26-32(17-19-44-38)42-46-21-23-48-42)34-9-5-4-8-33(34)39(35)37-25-31(16-18-43-37)41-45-20-22-47-41/h4*1-26H.

What are the key properties of 2-[2-[10-[4-(1,3-oxazol-2-yl)-2-pyridinyl]-2-(3-phenylphenyl)anthracen-9-yl]-4-pyridinyl]-1,3-oxazole;2-[2-[10-[4-(1,3-oxazol-2-yl)-2-pyridinyl]-2-(4-phenylphenyl)anthracen-9-yl]-4-pyridinyl]-1,3-oxazole;2-[2-[2-(3-phenylphenyl)-10-[4-(1,3-thiazol-2-yl)-2-pyridinyl]anthracen-9-yl]-4-pyridinyl]-1,3-thiazole;2-[2-[2-(4-phenylphenyl)-10-[4-(1,3-thiazol-2-yl)-2-pyridinyl]anthracen-9-yl]-4-pyridinyl]-1,3-thiazole?

2-[2-[10-[4-(1,3-oxazol-2-yl)-2-pyridinyl]-2-(3-phenylphenyl)anthracen-9-yl]-4-pyridinyl]-1,3-oxazole;2-[2-[10-[4-(1,3-oxazol-2-yl)-2-pyridinyl]-2-(4-phenylphenyl)anthracen-9-yl]-4-pyridinyl]-1,3-oxazole;2-[2-[2-(3-phenylphenyl)-10-[4-(1,3-thiazol-2-yl)-2-pyridinyl]anthracen-9-yl]-4-pyridinyl]-1,3-thiazole;2-[2-[2-(4-phenylphenyl)-10-[4-(1,3-thiazol-2-yl)-2-pyridinyl]anthracen-9-yl]-4-pyridinyl]-1,3-thiazole has a molecular weight of 2539.06 g/mol, XLogP of 44.92, 24 rotatable bonds, 0 hydrogen bond donors, and 24 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[2-[10-[4-(1,3-oxazol-2-yl)-2-pyridinyl]-2-(3-phenylphenyl)anthracen-9-yl]-4-pyridinyl]-1,3-oxazole;2-[2-[10-[4-(1,3-oxazol-2-yl)-2-pyridinyl]-2-(4-phenylphenyl)anthracen-9-yl]-4-pyridinyl]-1,3-oxazole;2-[2-[2-(3-phenylphenyl)-10-[4-(1,3-thiazol-2-yl)-2-pyridinyl]anthracen-9-yl]-4-pyridinyl]-1,3-thiazole;2-[2-[2-(4-phenylphenyl)-10-[4-(1,3-thiazol-2-yl)-2-pyridinyl]anthracen-9-yl]-4-pyridinyl]-1,3-thiazole is sourced from PubChem (CID 157119935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).