5-(10-dibenzofuran-2-ylanthracen-9-yl)-2-naphtho[2,3-b][1]benzofuran-2-ylpyridine

C47H27NO2 — CID 134531262

About 5-(10-dibenzofuran-2-ylanthracen-9-yl)-2-naphtho[2,3-b][1]benzofuran-2-ylpyridine

5-(10-dibenzofuran-2-ylanthracen-9-yl)-2-naphtho[2,3-b][1]benzofuran-2-ylpyridine (PubChem CID 134531262) has the molecular formula C47H27NO2 and a molecular weight of 637.74 g/mol. Its IUPAC name is 5-(10-dibenzofuran-2-ylanthracen-9-yl)-2-naphtho[2,3-b][1]benzofuran-2-ylpyridine.

Molecular Properties

• Compound Name: 5-(10-dibenzofuran-2-ylanthracen-9-yl)-2-naphtho[2,3-b][1]benzofuran-2-ylpyridine
• PubChem CID: 134531262
• Molecular Formula: C47H27NO2
• Molecular Weight: 637.74 g/mol
• Exact Mass: 637.20
• IUPAC Name: 5-(10-dibenzofuran-2-ylanthracen-9-yl)-2-naphtho[2,3-b][1]benzofuran-2-ylpyridine
• SMILES: c1ccc2cc3c(cc2c1)oc1ccc(-c2ccc(-c4c5ccccc5c(-c5ccc6oc7ccccc7c6c5)c5ccccc45)cn2)cc13
• InChI: InChI=1S/C47H27NO2/c1-2-10-29-26-45-40(23-28(29)9-1)39-24-30(18-21-44(39)50-45)41-20-17-32(27-48-41)47-36-14-5-3-12-34(36)46(35-13-4-6-15-37(35)47)31-19-22-43-38(25-31)33-11-7-8-16-42(33)49-43/h1-27H
• InChIKey: PAKPSDWNUFAAHS-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'}

Frequently Asked Questions

What is the IUPAC name of 5-(10-dibenzofuran-2-ylanthracen-9-yl)-2-naphtho[2,3-b][1]benzofuran-2-ylpyridine?

The IUPAC name of 5-(10-dibenzofuran-2-ylanthracen-9-yl)-2-naphtho[2,3-b][1]benzofuran-2-ylpyridine (CID 134531262) is 5-(10-dibenzofuran-2-ylanthracen-9-yl)-2-naphtho[2,3-b][1]benzofuran-2-ylpyridine.

What is the SMILES notation for 5-(10-dibenzofuran-2-ylanthracen-9-yl)-2-naphtho[2,3-b][1]benzofuran-2-ylpyridine?

The canonical SMILES for 5-(10-dibenzofuran-2-ylanthracen-9-yl)-2-naphtho[2,3-b][1]benzofuran-2-ylpyridine is c1ccc2cc3c(cc2c1)oc1ccc(-c2ccc(-c4c5ccccc5c(-c5ccc6oc7ccccc7c6c5)c5ccccc45)cn2)cc13.

What is the InChIKey of 5-(10-dibenzofuran-2-ylanthracen-9-yl)-2-naphtho[2,3-b][1]benzofuran-2-ylpyridine?

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

What are the key properties of 5-(10-dibenzofuran-2-ylanthracen-9-yl)-2-naphtho[2,3-b][1]benzofuran-2-ylpyridine?

5-(10-dibenzofuran-2-ylanthracen-9-yl)-2-naphtho[2,3-b][1]benzofuran-2-ylpyridine 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 5-(10-dibenzofuran-2-ylanthracen-9-yl)-2-naphtho[2,3-b][1]benzofuran-2-ylpyridine is sourced from PubChem (CID 134531262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).