2-[6-[10-[6-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-2-pyridinyl]-2-phenylanthracen-9-yl]-2-pyridinyl]-4,4-dimethyl-5H-1,3-oxazole

C40H34N4O2 — CID 135249853

About 2-[6-[10-[6-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-2-pyridinyl]-2-phenylanthracen-9-yl]-2-pyridinyl]-4,4-dimethyl-5H-1,3-oxazole

2-[6-[10-[6-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-2-pyridinyl]-2-phenylanthracen-9-yl]-2-pyridinyl]-4,4-dimethyl-5H-1,3-oxazole (PubChem CID 135249853) has the molecular formula C40H34N4O2 and a molecular weight of 602.74 g/mol. Its IUPAC name is 2-[6-[10-[6-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-2-pyridinyl]-2-phenylanthracen-9-yl]-2-pyridinyl]-4,4-dimethyl-5H-1,3-oxazole.

Molecular Properties

• Compound Name: 2-[6-[10-[6-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-2-pyridinyl]-2-phenylanthracen-9-yl]-2-pyridinyl]-4,4-dimethyl-5H-1,3-oxazole
• PubChem CID: 135249853
• Molecular Formula: C40H34N4O2
• Molecular Weight: 602.74 g/mol
• Exact Mass: 602.27
• IUPAC Name: 2-[6-[10-[6-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-2-pyridinyl]-2-phenylanthracen-9-yl]-2-pyridinyl]-4,4-dimethyl-5H-1,3-oxazole
• SMILES: CC1(C)COC(c2cccc(-c3c4ccccc4c(-c4cccc(C5=NC(C)(C)CO5)n4)c4cc(-c5ccccc5)ccc34)n2)=N1
• InChI: InChI=1S/C40H34N4O2/c1-39(2)23-45-37(43-39)33-18-10-16-31(41-33)35-27-14-8-9-15-28(27)36(30-22-26(20-21-29(30)35)25-12-6-5-7-13-25)32-17-11-19-34(42-32)38-44-40(3,4)24-46-38/h5-22H,23-24H2,1-4H3
• InChIKey: SCPQWQBMDRYXEY-UHFFFAOYSA-N
• XLogP: 8.89
• TPSA: 68.96 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 46
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	602.74
LogP ≤ 5	8.89
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-[6-[10-[6-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-2-pyridinyl]-2-phenylanthracen-9-yl]-2-pyridinyl]-4,4-dimethyl-5H-1,3-oxazole?

The IUPAC name of 2-[6-[10-[6-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-2-pyridinyl]-2-phenylanthracen-9-yl]-2-pyridinyl]-4,4-dimethyl-5H-1,3-oxazole (CID 135249853) is 2-[6-[10-[6-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-2-pyridinyl]-2-phenylanthracen-9-yl]-2-pyridinyl]-4,4-dimethyl-5H-1,3-oxazole.

What is the SMILES notation for 2-[6-[10-[6-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-2-pyridinyl]-2-phenylanthracen-9-yl]-2-pyridinyl]-4,4-dimethyl-5H-1,3-oxazole?

The canonical SMILES for 2-[6-[10-[6-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-2-pyridinyl]-2-phenylanthracen-9-yl]-2-pyridinyl]-4,4-dimethyl-5H-1,3-oxazole is CC1(C)COC(c2cccc(-c3c4ccccc4c(-c4cccc(C5=NC(C)(C)CO5)n4)c4cc(-c5ccccc5)ccc34)n2)=N1.

What is the InChIKey of 2-[6-[10-[6-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-2-pyridinyl]-2-phenylanthracen-9-yl]-2-pyridinyl]-4,4-dimethyl-5H-1,3-oxazole?

The InChIKey is SCPQWQBMDRYXEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H34N4O2/c1-39(2)23-45-37(43-39)33-18-10-16-31(41-33)35-27-14-8-9-15-28(27)36(30-22-26(20-21-29(30)35)25-12-6-5-7-13-25)32-17-11-19-34(42-32)38-44-40(3,4)24-46-38/h5-22H,23-24H2,1-4H3.

What are the key properties of 2-[6-[10-[6-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-2-pyridinyl]-2-phenylanthracen-9-yl]-2-pyridinyl]-4,4-dimethyl-5H-1,3-oxazole?

2-[6-[10-[6-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-2-pyridinyl]-2-phenylanthracen-9-yl]-2-pyridinyl]-4,4-dimethyl-5H-1,3-oxazole has a molecular weight of 602.74 g/mol, XLogP of 8.89, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[6-[10-[6-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-2-pyridinyl]-2-phenylanthracen-9-yl]-2-pyridinyl]-4,4-dimethyl-5H-1,3-oxazole is sourced from PubChem (CID 135249853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).