2-[2-[2-naphthalen-1-yl-10-[4-(1,3-oxazol-2-yl)-2-pyridinyl]anthracen-9-yl]-4-pyridinyl]-1,3-oxazole

C40H24N4O2 — CID 121297747

About 2-[2-[2-naphthalen-1-yl-10-[4-(1,3-oxazol-2-yl)-2-pyridinyl]anthracen-9-yl]-4-pyridinyl]-1,3-oxazole

2-[2-[2-naphthalen-1-yl-10-[4-(1,3-oxazol-2-yl)-2-pyridinyl]anthracen-9-yl]-4-pyridinyl]-1,3-oxazole (PubChem CID 121297747) has the molecular formula C40H24N4O2 and a molecular weight of 592.66 g/mol. Its IUPAC name is 2-[2-[2-naphthalen-1-yl-10-[4-(1,3-oxazol-2-yl)-2-pyridinyl]anthracen-9-yl]-4-pyridinyl]-1,3-oxazole.

Molecular Properties

• Compound Name: 2-[2-[2-naphthalen-1-yl-10-[4-(1,3-oxazol-2-yl)-2-pyridinyl]anthracen-9-yl]-4-pyridinyl]-1,3-oxazole
• PubChem CID: 121297747
• Molecular Formula: C40H24N4O2
• Molecular Weight: 592.66 g/mol
• Exact Mass: 592.19
• IUPAC Name: 2-[2-[2-naphthalen-1-yl-10-[4-(1,3-oxazol-2-yl)-2-pyridinyl]anthracen-9-yl]-4-pyridinyl]-1,3-oxazole
• SMILES: c1ccc2c(-c3ccc4c(-c5cc(-c6ncco6)ccn5)c5ccccc5c(-c5cc(-c6ncco6)ccn5)c4c3)cccc2c1
• InChI: InChI=1S/C40H24N4O2/c1-2-8-29-25(6-1)7-5-11-30(29)26-12-13-33-34(22-26)38(36-24-28(15-17-42-36)40-44-19-21-46-40)32-10-4-3-9-31(32)37(33)35-23-27(14-16-41-35)39-43-18-20-45-39/h1-24H
• InChIKey: FYVDMOQZMNRKBA-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 2-[2-[2-naphthalen-1-yl-10-[4-(1,3-oxazol-2-yl)-2-pyridinyl]anthracen-9-yl]-4-pyridinyl]-1,3-oxazole?

The IUPAC name of 2-[2-[2-naphthalen-1-yl-10-[4-(1,3-oxazol-2-yl)-2-pyridinyl]anthracen-9-yl]-4-pyridinyl]-1,3-oxazole (CID 121297747) is 2-[2-[2-naphthalen-1-yl-10-[4-(1,3-oxazol-2-yl)-2-pyridinyl]anthracen-9-yl]-4-pyridinyl]-1,3-oxazole.

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

The canonical SMILES for 2-[2-[2-naphthalen-1-yl-10-[4-(1,3-oxazol-2-yl)-2-pyridinyl]anthracen-9-yl]-4-pyridinyl]-1,3-oxazole is c1ccc2c(-c3ccc4c(-c5cc(-c6ncco6)ccn5)c5ccccc5c(-c5cc(-c6ncco6)ccn5)c4c3)cccc2c1.

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

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

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

2-[2-[2-naphthalen-1-yl-10-[4-(1,3-oxazol-2-yl)-2-pyridinyl]anthracen-9-yl]-4-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 2-[2-[2-naphthalen-1-yl-10-[4-(1,3-oxazol-2-yl)-2-pyridinyl]anthracen-9-yl]-4-pyridinyl]-1,3-oxazole is sourced from PubChem (CID 121297747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).