5-[5-[2-(4-naphthalen-1-ylphenyl)-10-[6-(1,3-oxazol-5-yl)-3-pyridinyl]anthracen-9-yl]-2-pyridinyl]-1,3-oxazole;5-[5-[2-(4-naphthalen-1-ylphenyl)-10-[6-(1,3-thiazol-5-yl)-3-pyridinyl]anthracen-9-yl]-2-pyridinyl]-1,3-thiazole

C92H56N8O2S2 — CID 157495279

About 5-[5-[2-(4-naphthalen-1-ylphenyl)-10-[6-(1,3-oxazol-5-yl)-3-pyridinyl]anthracen-9-yl]-2-pyridinyl]-1,3-oxazole;5-[5-[2-(4-naphthalen-1-ylphenyl)-10-[6-(1,3-thiazol-5-yl)-3-pyridinyl]anthracen-9-yl]-2-pyridinyl]-1,3-thiazole

5-[5-[2-(4-naphthalen-1-ylphenyl)-10-[6-(1,3-oxazol-5-yl)-3-pyridinyl]anthracen-9-yl]-2-pyridinyl]-1,3-oxazole;5-[5-[2-(4-naphthalen-1-ylphenyl)-10-[6-(1,3-thiazol-5-yl)-3-pyridinyl]anthracen-9-yl]-2-pyridinyl]-1,3-thiazole (PubChem CID 157495279) has the molecular formula C92H56N8O2S2 and a molecular weight of 1369.65 g/mol. Its IUPAC name is 5-[5-[2-(4-naphthalen-1-ylphenyl)-10-[6-(1,3-oxazol-5-yl)-3-pyridinyl]anthracen-9-yl]-2-pyridinyl]-1,3-oxazole;5-[5-[2-(4-naphthalen-1-ylphenyl)-10-[6-(1,3-thiazol-5-yl)-3-pyridinyl]anthracen-9-yl]-2-pyridinyl]-1,3-thiazole.

Molecular Properties

• Compound Name: 5-[5-[2-(4-naphthalen-1-ylphenyl)-10-[6-(1,3-oxazol-5-yl)-3-pyridinyl]anthracen-9-yl]-2-pyridinyl]-1,3-oxazole;5-[5-[2-(4-naphthalen-1-ylphenyl)-10-[6-(1,3-thiazol-5-yl)-3-pyridinyl]anthracen-9-yl]-2-pyridinyl]-1,3-thiazole
• PubChem CID: 157495279
• Molecular Formula: C92H56N8O2S2
• Molecular Weight: 1369.65 g/mol
• Exact Mass: 1368.40
• IUPAC Name: 5-[5-[2-(4-naphthalen-1-ylphenyl)-10-[6-(1,3-oxazol-5-yl)-3-pyridinyl]anthracen-9-yl]-2-pyridinyl]-1,3-oxazole;5-[5-[2-(4-naphthalen-1-ylphenyl)-10-[6-(1,3-thiazol-5-yl)-3-pyridinyl]anthracen-9-yl]-2-pyridinyl]-1,3-thiazole
• SMILES: c1ccc2c(-c3ccc(-c4ccc5c(-c6ccc(-c7cnco7)nc6)c6ccccc6c(-c6ccc(-c7cnco7)nc6)c5c4)cc3)cccc2c1.c1ccc2c(-c3ccc(-c4ccc5c(-c6ccc(-c7cncs7)nc6)c6ccccc6c(-c6ccc(-c7cncs7)nc6)c5c4)cc3)cccc2c1
• InChI: InChI=1S/C46H28N4O2.C46H28N4S2/c2*1-2-8-35-30(6-1)7-5-11-36(35)31-14-12-29(13-15-31)32-16-19-39-40(22-32)46(34-18-21-42(50-24-34)44-26-48-28-52-44)38-10-4-3-9-37(38)45(39)33-17-20-41(49-23-33)43-25-47-27-51-43/h2*1-28H
• InChIKey: BXTISBFNVYLZKN-UHFFFAOYSA-N
• XLogP: 24.77
• TPSA: 129.40 Ų
• H-Bond Acceptors: 12
• Rotatable Bonds: 12
• Heavy Atoms: 104
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1369.65
LogP ≤ 5	24.77
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	12

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 5-[5-[2-(4-naphthalen-1-ylphenyl)-10-[6-(1,3-oxazol-5-yl)-3-pyridinyl]anthracen-9-yl]-2-pyridinyl]-1,3-oxazole;5-[5-[2-(4-naphthalen-1-ylphenyl)-10-[6-(1,3-thiazol-5-yl)-3-pyridinyl]anthracen-9-yl]-2-pyridinyl]-1,3-thiazole?

The IUPAC name of 5-[5-[2-(4-naphthalen-1-ylphenyl)-10-[6-(1,3-oxazol-5-yl)-3-pyridinyl]anthracen-9-yl]-2-pyridinyl]-1,3-oxazole;5-[5-[2-(4-naphthalen-1-ylphenyl)-10-[6-(1,3-thiazol-5-yl)-3-pyridinyl]anthracen-9-yl]-2-pyridinyl]-1,3-thiazole (CID 157495279) is 5-[5-[2-(4-naphthalen-1-ylphenyl)-10-[6-(1,3-oxazol-5-yl)-3-pyridinyl]anthracen-9-yl]-2-pyridinyl]-1,3-oxazole;5-[5-[2-(4-naphthalen-1-ylphenyl)-10-[6-(1,3-thiazol-5-yl)-3-pyridinyl]anthracen-9-yl]-2-pyridinyl]-1,3-thiazole.

What is the SMILES notation for 5-[5-[2-(4-naphthalen-1-ylphenyl)-10-[6-(1,3-oxazol-5-yl)-3-pyridinyl]anthracen-9-yl]-2-pyridinyl]-1,3-oxazole;5-[5-[2-(4-naphthalen-1-ylphenyl)-10-[6-(1,3-thiazol-5-yl)-3-pyridinyl]anthracen-9-yl]-2-pyridinyl]-1,3-thiazole?

The canonical SMILES for 5-[5-[2-(4-naphthalen-1-ylphenyl)-10-[6-(1,3-oxazol-5-yl)-3-pyridinyl]anthracen-9-yl]-2-pyridinyl]-1,3-oxazole;5-[5-[2-(4-naphthalen-1-ylphenyl)-10-[6-(1,3-thiazol-5-yl)-3-pyridinyl]anthracen-9-yl]-2-pyridinyl]-1,3-thiazole is c1ccc2c(-c3ccc(-c4ccc5c(-c6ccc(-c7cnco7)nc6)c6ccccc6c(-c6ccc(-c7cnco7)nc6)c5c4)cc3)cccc2c1.c1ccc2c(-c3ccc(-c4ccc5c(-c6ccc(-c7cncs7)nc6)c6ccccc6c(-c6ccc(-c7cncs7)nc6)c5c4)cc3)cccc2c1.

What is the InChIKey of 5-[5-[2-(4-naphthalen-1-ylphenyl)-10-[6-(1,3-oxazol-5-yl)-3-pyridinyl]anthracen-9-yl]-2-pyridinyl]-1,3-oxazole;5-[5-[2-(4-naphthalen-1-ylphenyl)-10-[6-(1,3-thiazol-5-yl)-3-pyridinyl]anthracen-9-yl]-2-pyridinyl]-1,3-thiazole?

The InChIKey is BXTISBFNVYLZKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H28N4O2.C46H28N4S2/c2*1-2-8-35-30(6-1)7-5-11-36(35)31-14-12-29(13-15-31)32-16-19-39-40(22-32)46(34-18-21-42(50-24-34)44-26-48-28-52-44)38-10-4-3-9-37(38)45(39)33-17-20-41(49-23-33)43-25-47-27-51-43/h2*1-28H.

What are the key properties of 5-[5-[2-(4-naphthalen-1-ylphenyl)-10-[6-(1,3-oxazol-5-yl)-3-pyridinyl]anthracen-9-yl]-2-pyridinyl]-1,3-oxazole;5-[5-[2-(4-naphthalen-1-ylphenyl)-10-[6-(1,3-thiazol-5-yl)-3-pyridinyl]anthracen-9-yl]-2-pyridinyl]-1,3-thiazole?

5-[5-[2-(4-naphthalen-1-ylphenyl)-10-[6-(1,3-oxazol-5-yl)-3-pyridinyl]anthracen-9-yl]-2-pyridinyl]-1,3-oxazole;5-[5-[2-(4-naphthalen-1-ylphenyl)-10-[6-(1,3-thiazol-5-yl)-3-pyridinyl]anthracen-9-yl]-2-pyridinyl]-1,3-thiazole has a molecular weight of 1369.65 g/mol, XLogP of 24.77, 12 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[5-[2-(4-naphthalen-1-ylphenyl)-10-[6-(1,3-oxazol-5-yl)-3-pyridinyl]anthracen-9-yl]-2-pyridinyl]-1,3-oxazole;5-[5-[2-(4-naphthalen-1-ylphenyl)-10-[6-(1,3-thiazol-5-yl)-3-pyridinyl]anthracen-9-yl]-2-pyridinyl]-1,3-thiazole is sourced from PubChem (CID 157495279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).