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

C34H30N4O2 — CID 135249908

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

2-[6-[10-[5-(5,5-dimethyl-4H-1,3-oxazol-2-yl)-2-pyridinyl]anthracen-9-yl]-3-pyridinyl]-5,5-dimethyl-4H-1,3-oxazole (PubChem CID 135249908) has the molecular formula C34H30N4O2 and a molecular weight of 526.64 g/mol. Its IUPAC name is 2-[6-[10-[5-(5,5-dimethyl-4H-1,3-oxazol-2-yl)-2-pyridinyl]anthracen-9-yl]-3-pyridinyl]-5,5-dimethyl-4H-1,3-oxazole.

Molecular Properties

• Compound Name: 2-[6-[10-[5-(5,5-dimethyl-4H-1,3-oxazol-2-yl)-2-pyridinyl]anthracen-9-yl]-3-pyridinyl]-5,5-dimethyl-4H-1,3-oxazole
• PubChem CID: 135249908
• Molecular Formula: C34H30N4O2
• Molecular Weight: 526.64 g/mol
• Exact Mass: 526.24
• IUPAC Name: 2-[6-[10-[5-(5,5-dimethyl-4H-1,3-oxazol-2-yl)-2-pyridinyl]anthracen-9-yl]-3-pyridinyl]-5,5-dimethyl-4H-1,3-oxazole
• SMILES: CC1(C)CN=C(c2ccc(-c3c4ccccc4c(-c4ccc(C5=NCC(C)(C)O5)cn4)c4ccccc34)nc2)O1
• InChI: InChI=1S/C34H30N4O2/c1-33(2)19-37-31(39-33)21-13-15-27(35-17-21)29-23-9-5-7-11-25(23)30(26-12-8-6-10-24(26)29)28-16-14-22(18-36-28)32-38-20-34(3,4)40-32/h5-18H,19-20H2,1-4H3
• InChIKey: NADNXTQCCLAJJE-UHFFFAOYSA-N
• XLogP: 7.23
• TPSA: 68.96 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	526.64
LogP ≤ 5	7.23
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-[5-(5,5-dimethyl-4H-1,3-oxazol-2-yl)-2-pyridinyl]anthracen-9-yl]-3-pyridinyl]-5,5-dimethyl-4H-1,3-oxazole?

The IUPAC name of 2-[6-[10-[5-(5,5-dimethyl-4H-1,3-oxazol-2-yl)-2-pyridinyl]anthracen-9-yl]-3-pyridinyl]-5,5-dimethyl-4H-1,3-oxazole (CID 135249908) is 2-[6-[10-[5-(5,5-dimethyl-4H-1,3-oxazol-2-yl)-2-pyridinyl]anthracen-9-yl]-3-pyridinyl]-5,5-dimethyl-4H-1,3-oxazole.

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

The canonical SMILES for 2-[6-[10-[5-(5,5-dimethyl-4H-1,3-oxazol-2-yl)-2-pyridinyl]anthracen-9-yl]-3-pyridinyl]-5,5-dimethyl-4H-1,3-oxazole is CC1(C)CN=C(c2ccc(-c3c4ccccc4c(-c4ccc(C5=NCC(C)(C)O5)cn4)c4ccccc34)nc2)O1.

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

The InChIKey is NADNXTQCCLAJJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H30N4O2/c1-33(2)19-37-31(39-33)21-13-15-27(35-17-21)29-23-9-5-7-11-25(23)30(26-12-8-6-10-24(26)29)28-16-14-22(18-36-28)32-38-20-34(3,4)40-32/h5-18H,19-20H2,1-4H3.

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

2-[6-[10-[5-(5,5-dimethyl-4H-1,3-oxazol-2-yl)-2-pyridinyl]anthracen-9-yl]-3-pyridinyl]-5,5-dimethyl-4H-1,3-oxazole has a molecular weight of 526.64 g/mol, XLogP of 7.23, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[6-[10-[5-(5,5-dimethyl-4H-1,3-oxazol-2-yl)-2-pyridinyl]anthracen-9-yl]-3-pyridinyl]-5,5-dimethyl-4H-1,3-oxazole is sourced from PubChem (CID 135249908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).