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

C60H36N8O2S2 — CID 158643567

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

2-[5-[10-[5-(1,3-oxazol-2-yl)-3-pyridinyl]anthracen-9-yl]-3-pyridinyl]-1,3-oxazole;2-[5-[10-[5-(1,3-thiazol-2-yl)-3-pyridinyl]anthracen-9-yl]-3-pyridinyl]-1,3-thiazole (PubChem CID 158643567) has the molecular formula C60H36N8O2S2 and a molecular weight of 965.14 g/mol. Its IUPAC name is 2-[5-[10-[5-(1,3-oxazol-2-yl)-3-pyridinyl]anthracen-9-yl]-3-pyridinyl]-1,3-oxazole;2-[5-[10-[5-(1,3-thiazol-2-yl)-3-pyridinyl]anthracen-9-yl]-3-pyridinyl]-1,3-thiazole.

Molecular Properties

• Compound Name: 2-[5-[10-[5-(1,3-oxazol-2-yl)-3-pyridinyl]anthracen-9-yl]-3-pyridinyl]-1,3-oxazole;2-[5-[10-[5-(1,3-thiazol-2-yl)-3-pyridinyl]anthracen-9-yl]-3-pyridinyl]-1,3-thiazole
• PubChem CID: 158643567
• Molecular Formula: C60H36N8O2S2
• Molecular Weight: 965.14 g/mol
• Exact Mass: 964.24
• IUPAC Name: 2-[5-[10-[5-(1,3-oxazol-2-yl)-3-pyridinyl]anthracen-9-yl]-3-pyridinyl]-1,3-oxazole;2-[5-[10-[5-(1,3-thiazol-2-yl)-3-pyridinyl]anthracen-9-yl]-3-pyridinyl]-1,3-thiazole
• SMILES: c1ccc2c(-c3cncc(-c4ncco4)c3)c3ccccc3c(-c3cncc(-c4ncco4)c3)c2c1.c1ccc2c(-c3cncc(-c4nccs4)c3)c3ccccc3c(-c3cncc(-c4nccs4)c3)c2c1
• InChI: InChI=1S/C30H18N4O2.C30H18N4S2/c2*1-2-6-24-23(5-1)27(19-13-21(17-31-15-19)29-33-9-11-35-29)25-7-3-4-8-26(25)28(24)20-14-22(18-32-16-20)30-34-10-12-36-30/h2*1-18H
• InChIKey: IARLRPLXNPZSDQ-UHFFFAOYSA-N
• XLogP: 15.79
• TPSA: 129.40 Ų
• H-Bond Acceptors: 12
• Rotatable Bonds: 8
• Heavy Atoms: 72
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	965.14
LogP ≤ 5	15.79
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 2-[5-[10-[5-(1,3-oxazol-2-yl)-3-pyridinyl]anthracen-9-yl]-3-pyridinyl]-1,3-oxazole;2-[5-[10-[5-(1,3-thiazol-2-yl)-3-pyridinyl]anthracen-9-yl]-3-pyridinyl]-1,3-thiazole?

The IUPAC name of 2-[5-[10-[5-(1,3-oxazol-2-yl)-3-pyridinyl]anthracen-9-yl]-3-pyridinyl]-1,3-oxazole;2-[5-[10-[5-(1,3-thiazol-2-yl)-3-pyridinyl]anthracen-9-yl]-3-pyridinyl]-1,3-thiazole (CID 158643567) is 2-[5-[10-[5-(1,3-oxazol-2-yl)-3-pyridinyl]anthracen-9-yl]-3-pyridinyl]-1,3-oxazole;2-[5-[10-[5-(1,3-thiazol-2-yl)-3-pyridinyl]anthracen-9-yl]-3-pyridinyl]-1,3-thiazole.

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

The canonical SMILES for 2-[5-[10-[5-(1,3-oxazol-2-yl)-3-pyridinyl]anthracen-9-yl]-3-pyridinyl]-1,3-oxazole;2-[5-[10-[5-(1,3-thiazol-2-yl)-3-pyridinyl]anthracen-9-yl]-3-pyridinyl]-1,3-thiazole is c1ccc2c(-c3cncc(-c4ncco4)c3)c3ccccc3c(-c3cncc(-c4ncco4)c3)c2c1.c1ccc2c(-c3cncc(-c4nccs4)c3)c3ccccc3c(-c3cncc(-c4nccs4)c3)c2c1.

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

The InChIKey is IARLRPLXNPZSDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H18N4O2.C30H18N4S2/c2*1-2-6-24-23(5-1)27(19-13-21(17-31-15-19)29-33-9-11-35-29)25-7-3-4-8-26(25)28(24)20-14-22(18-32-16-20)30-34-10-12-36-30/h2*1-18H.

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

2-[5-[10-[5-(1,3-oxazol-2-yl)-3-pyridinyl]anthracen-9-yl]-3-pyridinyl]-1,3-oxazole;2-[5-[10-[5-(1,3-thiazol-2-yl)-3-pyridinyl]anthracen-9-yl]-3-pyridinyl]-1,3-thiazole has a molecular weight of 965.14 g/mol, XLogP of 15.79, 8 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[5-[10-[5-(1,3-oxazol-2-yl)-3-pyridinyl]anthracen-9-yl]-3-pyridinyl]-1,3-oxazole;2-[5-[10-[5-(1,3-thiazol-2-yl)-3-pyridinyl]anthracen-9-yl]-3-pyridinyl]-1,3-thiazole is sourced from PubChem (CID 158643567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).