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

C40H24N4O2 — CID 121297795

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

5-[5-[2-naphthalen-1-yl-10-[5-(1,3-oxazol-5-yl)-3-pyridinyl]anthracen-9-yl]-3-pyridinyl]-1,3-oxazole (PubChem CID 121297795) has the molecular formula C40H24N4O2 and a molecular weight of 592.66 g/mol. Its IUPAC name is 5-[5-[2-naphthalen-1-yl-10-[5-(1,3-oxazol-5-yl)-3-pyridinyl]anthracen-9-yl]-3-pyridinyl]-1,3-oxazole.

Molecular Properties

• Compound Name: 5-[5-[2-naphthalen-1-yl-10-[5-(1,3-oxazol-5-yl)-3-pyridinyl]anthracen-9-yl]-3-pyridinyl]-1,3-oxazole
• PubChem CID: 121297795
• Molecular Formula: C40H24N4O2
• Molecular Weight: 592.66 g/mol
• Exact Mass: 592.19
• IUPAC Name: 5-[5-[2-naphthalen-1-yl-10-[5-(1,3-oxazol-5-yl)-3-pyridinyl]anthracen-9-yl]-3-pyridinyl]-1,3-oxazole
• SMILES: c1ccc2c(-c3ccc4c(-c5cncc(-c6cnco6)c5)c5ccccc5c(-c5cncc(-c6cnco6)c5)c4c3)cccc2c1
• InChI: InChI=1S/C40H24N4O2/c1-2-8-31-25(6-1)7-5-11-32(31)26-12-13-35-36(16-26)40(30-15-28(18-42-20-30)38-22-44-24-46-38)34-10-4-3-9-33(34)39(35)29-14-27(17-41-19-29)37-21-43-23-45-37/h1-24H
• InChIKey: LSTGSHSWBAUJCO-UHFFFAOYSA-N
• XLogP: 10.25
• TPSA: 77.84 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 46
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	592.66
LogP ≤ 5	10.25
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

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-naphthalen-1-yl-10-[5-(1,3-oxazol-5-yl)-3-pyridinyl]anthracen-9-yl]-3-pyridinyl]-1,3-oxazole?

The IUPAC name of 5-[5-[2-naphthalen-1-yl-10-[5-(1,3-oxazol-5-yl)-3-pyridinyl]anthracen-9-yl]-3-pyridinyl]-1,3-oxazole (CID 121297795) is 5-[5-[2-naphthalen-1-yl-10-[5-(1,3-oxazol-5-yl)-3-pyridinyl]anthracen-9-yl]-3-pyridinyl]-1,3-oxazole.

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

The canonical SMILES for 5-[5-[2-naphthalen-1-yl-10-[5-(1,3-oxazol-5-yl)-3-pyridinyl]anthracen-9-yl]-3-pyridinyl]-1,3-oxazole is c1ccc2c(-c3ccc4c(-c5cncc(-c6cnco6)c5)c5ccccc5c(-c5cncc(-c6cnco6)c5)c4c3)cccc2c1.

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

The InChIKey is LSTGSHSWBAUJCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H24N4O2/c1-2-8-31-25(6-1)7-5-11-32(31)26-12-13-35-36(16-26)40(30-15-28(18-42-20-30)38-22-44-24-46-38)34-10-4-3-9-33(34)39(35)29-14-27(17-41-19-29)37-21-43-23-45-37/h1-24H.

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

5-[5-[2-naphthalen-1-yl-10-[5-(1,3-oxazol-5-yl)-3-pyridinyl]anthracen-9-yl]-3-pyridinyl]-1,3-oxazole has a molecular weight of 592.66 g/mol, XLogP of 10.25, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[5-[2-naphthalen-1-yl-10-[5-(1,3-oxazol-5-yl)-3-pyridinyl]anthracen-9-yl]-3-pyridinyl]-1,3-oxazole is sourced from PubChem (CID 121297795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).