4-(4-anthracen-2-yl-6-cyclopentyloxy-1,3,5-triazin-2-yl)benzene-1,3-diol

C28H23N3O3 — CID 164768260

About 4-(4-anthracen-2-yl-6-cyclopentyloxy-1,3,5-triazin-2-yl)benzene-1,3-diol

4-(4-anthracen-2-yl-6-cyclopentyloxy-1,3,5-triazin-2-yl)benzene-1,3-diol (PubChem CID 164768260) has the molecular formula C28H23N3O3 and a molecular weight of 449.51 g/mol. Its IUPAC name is 4-(4-anthracen-2-yl-6-cyclopentyloxy-1,3,5-triazin-2-yl)benzene-1,3-diol.

Molecular Properties

• Compound Name: 4-(4-anthracen-2-yl-6-cyclopentyloxy-1,3,5-triazin-2-yl)benzene-1,3-diol
• PubChem CID: 164768260
• Molecular Formula: C28H23N3O3
• Molecular Weight: 449.51 g/mol
• Exact Mass: 449.17
• IUPAC Name: 4-(4-anthracen-2-yl-6-cyclopentyloxy-1,3,5-triazin-2-yl)benzene-1,3-diol
• SMILES: Oc1ccc(-c2nc(OC3CCCC3)nc(-c3ccc4cc5ccccc5cc4c3)n2)c(O)c1
• InChI: InChI=1S/C28H23N3O3/c32-22-11-12-24(25(33)16-22)27-29-26(30-28(31-27)34-23-7-3-4-8-23)20-10-9-19-13-17-5-1-2-6-18(17)14-21(19)15-20/h1-2,5-6,9-16,23,32-33H,3-4,7-8H2
• InChIKey: GNHWJKCNRHEGNG-UHFFFAOYSA-N
• XLogP: 6.24
• TPSA: 88.36 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	449.51
LogP ≤ 5	6.24
H-Bond Donors ≤ 5	2
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 4-(4-anthracen-2-yl-6-cyclopentyloxy-1,3,5-triazin-2-yl)benzene-1,3-diol?

The IUPAC name of 4-(4-anthracen-2-yl-6-cyclopentyloxy-1,3,5-triazin-2-yl)benzene-1,3-diol (CID 164768260) is 4-(4-anthracen-2-yl-6-cyclopentyloxy-1,3,5-triazin-2-yl)benzene-1,3-diol.

What is the SMILES notation for 4-(4-anthracen-2-yl-6-cyclopentyloxy-1,3,5-triazin-2-yl)benzene-1,3-diol?

The canonical SMILES for 4-(4-anthracen-2-yl-6-cyclopentyloxy-1,3,5-triazin-2-yl)benzene-1,3-diol is Oc1ccc(-c2nc(OC3CCCC3)nc(-c3ccc4cc5ccccc5cc4c3)n2)c(O)c1.

What is the InChIKey of 4-(4-anthracen-2-yl-6-cyclopentyloxy-1,3,5-triazin-2-yl)benzene-1,3-diol?

The InChIKey is GNHWJKCNRHEGNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H23N3O3/c32-22-11-12-24(25(33)16-22)27-29-26(30-28(31-27)34-23-7-3-4-8-23)20-10-9-19-13-17-5-1-2-6-18(17)14-21(19)15-20/h1-2,5-6,9-16,23,32-33H,3-4,7-8H2.

What are the key properties of 4-(4-anthracen-2-yl-6-cyclopentyloxy-1,3,5-triazin-2-yl)benzene-1,3-diol?

4-(4-anthracen-2-yl-6-cyclopentyloxy-1,3,5-triazin-2-yl)benzene-1,3-diol has a molecular weight of 449.51 g/mol, XLogP of 6.24, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 4-(4-anthracen-2-yl-6-cyclopentyloxy-1,3,5-triazin-2-yl)benzene-1,3-diol is sourced from PubChem (CID 164768260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).