7-(10-dibenzofuran-2-ylanthracen-9-yl)-2-phenylnaphtho[2,1-g][1,3]benzoxazole

C47H27NO2 — CID 164840436

About 7-(10-dibenzofuran-2-ylanthracen-9-yl)-2-phenylnaphtho[2,1-g][1,3]benzoxazole

7-(10-dibenzofuran-2-ylanthracen-9-yl)-2-phenylnaphtho[2,1-g][1,3]benzoxazole (PubChem CID 164840436) has the molecular formula C47H27NO2 and a molecular weight of 637.74 g/mol. Its IUPAC name is 7-(10-dibenzofuran-2-ylanthracen-9-yl)-2-phenylnaphtho[2,1-g][1,3]benzoxazole.

Molecular Properties

• Compound Name: 7-(10-dibenzofuran-2-ylanthracen-9-yl)-2-phenylnaphtho[2,1-g][1,3]benzoxazole
• PubChem CID: 164840436
• Molecular Formula: C47H27NO2
• Molecular Weight: 637.74 g/mol
• Exact Mass: 637.20
• IUPAC Name: 7-(10-dibenzofuran-2-ylanthracen-9-yl)-2-phenylnaphtho[2,1-g][1,3]benzoxazole
• SMILES: c1ccc(-c2nc3ccc4cc(-c5c6ccccc6c(-c6ccc7oc8ccccc8c7c6)c6ccccc56)c5ccccc5c4c3o2)cc1
• InChI: InChI=1S/C47H27NO2/c1-2-12-28(13-3-1)47-48-40-24-22-30-27-39(31-14-4-5-16-33(31)44(30)46(40)50-47)45-36-19-8-6-17-34(36)43(35-18-7-9-20-37(35)45)29-23-25-42-38(26-29)32-15-10-11-21-41(32)49-42/h1-27H
• InChIKey: GWLGEQFWTREPNC-UHFFFAOYSA-N
• XLogP: 13.34
• TPSA: 39.17 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 3
• Heavy Atoms: 50
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	637.74
LogP ≤ 5	13.34
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 7-(10-dibenzofuran-2-ylanthracen-9-yl)-2-phenylnaphtho[2,1-g][1,3]benzoxazole?

The IUPAC name of 7-(10-dibenzofuran-2-ylanthracen-9-yl)-2-phenylnaphtho[2,1-g][1,3]benzoxazole (CID 164840436) is 7-(10-dibenzofuran-2-ylanthracen-9-yl)-2-phenylnaphtho[2,1-g][1,3]benzoxazole.

What is the SMILES notation for 7-(10-dibenzofuran-2-ylanthracen-9-yl)-2-phenylnaphtho[2,1-g][1,3]benzoxazole?

The canonical SMILES for 7-(10-dibenzofuran-2-ylanthracen-9-yl)-2-phenylnaphtho[2,1-g][1,3]benzoxazole is c1ccc(-c2nc3ccc4cc(-c5c6ccccc6c(-c6ccc7oc8ccccc8c7c6)c6ccccc56)c5ccccc5c4c3o2)cc1.

What is the InChIKey of 7-(10-dibenzofuran-2-ylanthracen-9-yl)-2-phenylnaphtho[2,1-g][1,3]benzoxazole?

The InChIKey is GWLGEQFWTREPNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C47H27NO2/c1-2-12-28(13-3-1)47-48-40-24-22-30-27-39(31-14-4-5-16-33(31)44(30)46(40)50-47)45-36-19-8-6-17-34(36)43(35-18-7-9-20-37(35)45)29-23-25-42-38(26-29)32-15-10-11-21-41(32)49-42/h1-27H.

What are the key properties of 7-(10-dibenzofuran-2-ylanthracen-9-yl)-2-phenylnaphtho[2,1-g][1,3]benzoxazole?

7-(10-dibenzofuran-2-ylanthracen-9-yl)-2-phenylnaphtho[2,1-g][1,3]benzoxazole has a molecular weight of 637.74 g/mol, XLogP of 13.34, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 7-(10-dibenzofuran-2-ylanthracen-9-yl)-2-phenylnaphtho[2,1-g][1,3]benzoxazole is sourced from PubChem (CID 164840436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).