2-[4-[2-(3,5-diphenylphenyl)-10-[2-(1,3-oxazol-2-yl)-4-pyridinyl]anthracen-9-yl]-2-pyridinyl]-1,3-oxazole;2-[4-[2-(3,5-diphenylphenyl)-10-[2-(1,3-thiazol-2-yl)-4-pyridinyl]anthracen-9-yl]-2-pyridinyl]-1,3-thiazole;2-[4-[2-(4-naphthalen-1-ylphenyl)-10-[2-(1,3-thiazol-2-yl)-4-pyridinyl]anthracen-9-yl]-2-pyridinyl]-1,3-thiazole

C142H88N12O2S4 — CID 157059294

About 2-[4-[2-(3,5-diphenylphenyl)-10-[2-(1,3-oxazol-2-yl)-4-pyridinyl]anthracen-9-yl]-2-pyridinyl]-1,3-oxazole;2-[4-[2-(3,5-diphenylphenyl)-10-[2-(1,3-thiazol-2-yl)-4-pyridinyl]anthracen-9-yl]-2-pyridinyl]-1,3-thiazole;2-[4-[2-(4-naphthalen-1-ylphenyl)-10-[2-(1,3-thiazol-2-yl)-4-pyridinyl]anthracen-9-yl]-2-pyridinyl]-1,3-thiazole

2-[4-[2-(3,5-diphenylphenyl)-10-[2-(1,3-oxazol-2-yl)-4-pyridinyl]anthracen-9-yl]-2-pyridinyl]-1,3-oxazole;2-[4-[2-(3,5-diphenylphenyl)-10-[2-(1,3-thiazol-2-yl)-4-pyridinyl]anthracen-9-yl]-2-pyridinyl]-1,3-thiazole;2-[4-[2-(4-naphthalen-1-ylphenyl)-10-[2-(1,3-thiazol-2-yl)-4-pyridinyl]anthracen-9-yl]-2-pyridinyl]-1,3-thiazole (PubChem CID 157059294) has the molecular formula C142H88N12O2S4 and a molecular weight of 2122.62 g/mol. Its IUPAC name is 2-[4-[2-(3,5-diphenylphenyl)-10-[2-(1,3-oxazol-2-yl)-4-pyridinyl]anthracen-9-yl]-2-pyridinyl]-1,3-oxazole;2-[4-[2-(3,5-diphenylphenyl)-10-[2-(1,3-thiazol-2-yl)-4-pyridinyl]anthracen-9-yl]-2-pyridinyl]-1,3-thiazole;2-[4-[2-(4-naphthalen-1-ylphenyl)-10-[2-(1,3-thiazol-2-yl)-4-pyridinyl]anthracen-9-yl]-2-pyridinyl]-1,3-thiazole.

Molecular Properties

• Compound Name: 2-[4-[2-(3,5-diphenylphenyl)-10-[2-(1,3-oxazol-2-yl)-4-pyridinyl]anthracen-9-yl]-2-pyridinyl]-1,3-oxazole;2-[4-[2-(3,5-diphenylphenyl)-10-[2-(1,3-thiazol-2-yl)-4-pyridinyl]anthracen-9-yl]-2-pyridinyl]-1,3-thiazole;2-[4-[2-(4-naphthalen-1-ylphenyl)-10-[2-(1,3-thiazol-2-yl)-4-pyridinyl]anthracen-9-yl]-2-pyridinyl]-1,3-thiazole
• PubChem CID: 157059294
• Molecular Formula: C142H88N12O2S4
• Molecular Weight: 2122.62 g/mol
• Exact Mass: 2120.60
• IUPAC Name: 2-[4-[2-(3,5-diphenylphenyl)-10-[2-(1,3-oxazol-2-yl)-4-pyridinyl]anthracen-9-yl]-2-pyridinyl]-1,3-oxazole;2-[4-[2-(3,5-diphenylphenyl)-10-[2-(1,3-thiazol-2-yl)-4-pyridinyl]anthracen-9-yl]-2-pyridinyl]-1,3-thiazole;2-[4-[2-(4-naphthalen-1-ylphenyl)-10-[2-(1,3-thiazol-2-yl)-4-pyridinyl]anthracen-9-yl]-2-pyridinyl]-1,3-thiazole
• SMILES: c1ccc(-c2cc(-c3ccccc3)cc(-c3ccc4c(-c5ccnc(-c6ncco6)c5)c5ccccc5c(-c5ccnc(-c6ncco6)c5)c4c3)c2)cc1.c1ccc(-c2cc(-c3ccccc3)cc(-c3ccc4c(-c5ccnc(-c6nccs6)c5)c5ccccc5c(-c5ccnc(-c6nccs6)c5)c4c3)c2)cc1.c1ccc2c(-c3ccc(-c4ccc5c(-c6ccnc(-c7nccs7)c6)c6ccccc6c(-c6ccnc(-c7nccs7)c6)c5c4)cc3)cccc2c1
• InChI: InChI=1S/C48H30N4O2.C48H30N4S2.C46H28N4S2/c2*1-3-9-31(10-4-1)36-25-37(32-11-5-2-6-12-32)27-38(26-36)33-15-16-41-42(28-33)46(35-18-20-50-44(30-35)48-52-22-24-54-48)40-14-8-7-13-39(40)45(41)34-17-19-49-43(29-34)47-51-21-23-53-47;1-2-8-35-30(6-1)7-5-11-36(35)31-14-12-29(13-15-31)32-16-17-39-40(26-32)44(34-19-21-48-42(28-34)46-50-23-25-52-46)38-10-4-3-9-37(38)43(39)33-18-20-47-41(27-33)45-49-22-24-51-45/h2*1-30H;1-28H
• InChIKey: ABDBKCRLHNLDMR-UHFFFAOYSA-N
• XLogP: 38.64
• TPSA: 180.96 Ų
• H-Bond Acceptors: 18
• Rotatable Bonds: 20
• Heavy Atoms: 160
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2122.62
LogP ≤ 5	38.64
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	18

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-[2-(3,5-diphenylphenyl)-10-[2-(1,3-oxazol-2-yl)-4-pyridinyl]anthracen-9-yl]-2-pyridinyl]-1,3-oxazole;2-[4-[2-(3,5-diphenylphenyl)-10-[2-(1,3-thiazol-2-yl)-4-pyridinyl]anthracen-9-yl]-2-pyridinyl]-1,3-thiazole;2-[4-[2-(4-naphthalen-1-ylphenyl)-10-[2-(1,3-thiazol-2-yl)-4-pyridinyl]anthracen-9-yl]-2-pyridinyl]-1,3-thiazole?

The IUPAC name of 2-[4-[2-(3,5-diphenylphenyl)-10-[2-(1,3-oxazol-2-yl)-4-pyridinyl]anthracen-9-yl]-2-pyridinyl]-1,3-oxazole;2-[4-[2-(3,5-diphenylphenyl)-10-[2-(1,3-thiazol-2-yl)-4-pyridinyl]anthracen-9-yl]-2-pyridinyl]-1,3-thiazole;2-[4-[2-(4-naphthalen-1-ylphenyl)-10-[2-(1,3-thiazol-2-yl)-4-pyridinyl]anthracen-9-yl]-2-pyridinyl]-1,3-thiazole (CID 157059294) is 2-[4-[2-(3,5-diphenylphenyl)-10-[2-(1,3-oxazol-2-yl)-4-pyridinyl]anthracen-9-yl]-2-pyridinyl]-1,3-oxazole;2-[4-[2-(3,5-diphenylphenyl)-10-[2-(1,3-thiazol-2-yl)-4-pyridinyl]anthracen-9-yl]-2-pyridinyl]-1,3-thiazole;2-[4-[2-(4-naphthalen-1-ylphenyl)-10-[2-(1,3-thiazol-2-yl)-4-pyridinyl]anthracen-9-yl]-2-pyridinyl]-1,3-thiazole.

What is the SMILES notation for 2-[4-[2-(3,5-diphenylphenyl)-10-[2-(1,3-oxazol-2-yl)-4-pyridinyl]anthracen-9-yl]-2-pyridinyl]-1,3-oxazole;2-[4-[2-(3,5-diphenylphenyl)-10-[2-(1,3-thiazol-2-yl)-4-pyridinyl]anthracen-9-yl]-2-pyridinyl]-1,3-thiazole;2-[4-[2-(4-naphthalen-1-ylphenyl)-10-[2-(1,3-thiazol-2-yl)-4-pyridinyl]anthracen-9-yl]-2-pyridinyl]-1,3-thiazole?

The canonical SMILES for 2-[4-[2-(3,5-diphenylphenyl)-10-[2-(1,3-oxazol-2-yl)-4-pyridinyl]anthracen-9-yl]-2-pyridinyl]-1,3-oxazole;2-[4-[2-(3,5-diphenylphenyl)-10-[2-(1,3-thiazol-2-yl)-4-pyridinyl]anthracen-9-yl]-2-pyridinyl]-1,3-thiazole;2-[4-[2-(4-naphthalen-1-ylphenyl)-10-[2-(1,3-thiazol-2-yl)-4-pyridinyl]anthracen-9-yl]-2-pyridinyl]-1,3-thiazole is c1ccc(-c2cc(-c3ccccc3)cc(-c3ccc4c(-c5ccnc(-c6ncco6)c5)c5ccccc5c(-c5ccnc(-c6ncco6)c5)c4c3)c2)cc1.c1ccc(-c2cc(-c3ccccc3)cc(-c3ccc4c(-c5ccnc(-c6nccs6)c5)c5ccccc5c(-c5ccnc(-c6nccs6)c5)c4c3)c2)cc1.c1ccc2c(-c3ccc(-c4ccc5c(-c6ccnc(-c7nccs7)c6)c6ccccc6c(-c6ccnc(-c7nccs7)c6)c5c4)cc3)cccc2c1.

What is the InChIKey of 2-[4-[2-(3,5-diphenylphenyl)-10-[2-(1,3-oxazol-2-yl)-4-pyridinyl]anthracen-9-yl]-2-pyridinyl]-1,3-oxazole;2-[4-[2-(3,5-diphenylphenyl)-10-[2-(1,3-thiazol-2-yl)-4-pyridinyl]anthracen-9-yl]-2-pyridinyl]-1,3-thiazole;2-[4-[2-(4-naphthalen-1-ylphenyl)-10-[2-(1,3-thiazol-2-yl)-4-pyridinyl]anthracen-9-yl]-2-pyridinyl]-1,3-thiazole?

The InChIKey is ABDBKCRLHNLDMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H30N4O2.C48H30N4S2.C46H28N4S2/c2*1-3-9-31(10-4-1)36-25-37(32-11-5-2-6-12-32)27-38(26-36)33-15-16-41-42(28-33)46(35-18-20-50-44(30-35)48-52-22-24-54-48)40-14-8-7-13-39(40)45(41)34-17-19-49-43(29-34)47-51-21-23-53-47;1-2-8-35-30(6-1)7-5-11-36(35)31-14-12-29(13-15-31)32-16-17-39-40(26-32)44(34-19-21-48-42(28-34)46-50-23-25-52-46)38-10-4-3-9-37(38)43(39)33-18-20-47-41(27-33)45-49-22-24-51-45/h2*1-30H;1-28H.

What are the key properties of 2-[4-[2-(3,5-diphenylphenyl)-10-[2-(1,3-oxazol-2-yl)-4-pyridinyl]anthracen-9-yl]-2-pyridinyl]-1,3-oxazole;2-[4-[2-(3,5-diphenylphenyl)-10-[2-(1,3-thiazol-2-yl)-4-pyridinyl]anthracen-9-yl]-2-pyridinyl]-1,3-thiazole;2-[4-[2-(4-naphthalen-1-ylphenyl)-10-[2-(1,3-thiazol-2-yl)-4-pyridinyl]anthracen-9-yl]-2-pyridinyl]-1,3-thiazole?

2-[4-[2-(3,5-diphenylphenyl)-10-[2-(1,3-oxazol-2-yl)-4-pyridinyl]anthracen-9-yl]-2-pyridinyl]-1,3-oxazole;2-[4-[2-(3,5-diphenylphenyl)-10-[2-(1,3-thiazol-2-yl)-4-pyridinyl]anthracen-9-yl]-2-pyridinyl]-1,3-thiazole;2-[4-[2-(4-naphthalen-1-ylphenyl)-10-[2-(1,3-thiazol-2-yl)-4-pyridinyl]anthracen-9-yl]-2-pyridinyl]-1,3-thiazole has a molecular weight of 2122.62 g/mol, XLogP of 38.64, 20 rotatable bonds, 0 hydrogen bond donors, and 18 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[4-[2-(3,5-diphenylphenyl)-10-[2-(1,3-oxazol-2-yl)-4-pyridinyl]anthracen-9-yl]-2-pyridinyl]-1,3-oxazole;2-[4-[2-(3,5-diphenylphenyl)-10-[2-(1,3-thiazol-2-yl)-4-pyridinyl]anthracen-9-yl]-2-pyridinyl]-1,3-thiazole;2-[4-[2-(4-naphthalen-1-ylphenyl)-10-[2-(1,3-thiazol-2-yl)-4-pyridinyl]anthracen-9-yl]-2-pyridinyl]-1,3-thiazole is sourced from PubChem (CID 157059294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).