8-[10-(2-phenyl-[1]benzofuro[3,2-g][1]benzofuran-5-yl)anthracen-9-yl]naphtho[2,1-b][1]benzofuran

C50H28O3 — CID 174264176

About 8-[10-(2-phenyl-[1]benzofuro[3,2-g][1]benzofuran-5-yl)anthracen-9-yl]naphtho[2,1-b][1]benzofuran

8-[10-(2-phenyl-[1]benzofuro[3,2-g][1]benzofuran-5-yl)anthracen-9-yl]naphtho[2,1-b][1]benzofuran (PubChem CID 174264176) has the molecular formula C50H28O3 and a molecular weight of 676.77 g/mol. Its IUPAC name is 8-[10-(2-phenyl-[1]benzofuro[3,2-g][1]benzofuran-5-yl)anthracen-9-yl]naphtho[2,1-b][1]benzofuran.

Molecular Properties

• Compound Name: 8-[10-(2-phenyl-[1]benzofuro[3,2-g][1]benzofuran-5-yl)anthracen-9-yl]naphtho[2,1-b][1]benzofuran
• PubChem CID: 174264176
• Molecular Formula: C50H28O3
• Molecular Weight: 676.77 g/mol
• Exact Mass: 676.20
• IUPAC Name: 8-[10-(2-phenyl-[1]benzofuro[3,2-g][1]benzofuran-5-yl)anthracen-9-yl]naphtho[2,1-b][1]benzofuran
• SMILES: c1ccc(-c2cc3cc(-c4c5ccccc5c(-c5cccc6c5oc5ccc7ccccc7c56)c5ccccc45)c4c5ccccc5oc4c3o2)cc1
• InChI: InChI=1S/C50H28O3/c1-2-14-30(15-3-1)43-28-31-27-40(47-37-21-10-11-24-41(37)51-50(47)48(31)53-43)45-35-19-8-6-17-33(35)44(34-18-7-9-20-36(34)45)38-22-12-23-39-46-32-16-5-4-13-29(32)25-26-42(46)52-49(38)39/h1-28H
• InChIKey: VKJJPKBWIFYWCX-UHFFFAOYSA-N
• XLogP: 14.69
• TPSA: 39.42 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 3
• Heavy Atoms: 53
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	676.77
LogP ≤ 5	14.69
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 8-[10-(2-phenyl-[1]benzofuro[3,2-g][1]benzofuran-5-yl)anthracen-9-yl]naphtho[2,1-b][1]benzofuran?

The IUPAC name of 8-[10-(2-phenyl-[1]benzofuro[3,2-g][1]benzofuran-5-yl)anthracen-9-yl]naphtho[2,1-b][1]benzofuran (CID 174264176) is 8-[10-(2-phenyl-[1]benzofuro[3,2-g][1]benzofuran-5-yl)anthracen-9-yl]naphtho[2,1-b][1]benzofuran.

What is the SMILES notation for 8-[10-(2-phenyl-[1]benzofuro[3,2-g][1]benzofuran-5-yl)anthracen-9-yl]naphtho[2,1-b][1]benzofuran?

The canonical SMILES for 8-[10-(2-phenyl-[1]benzofuro[3,2-g][1]benzofuran-5-yl)anthracen-9-yl]naphtho[2,1-b][1]benzofuran is c1ccc(-c2cc3cc(-c4c5ccccc5c(-c5cccc6c5oc5ccc7ccccc7c56)c5ccccc45)c4c5ccccc5oc4c3o2)cc1.

What is the InChIKey of 8-[10-(2-phenyl-[1]benzofuro[3,2-g][1]benzofuran-5-yl)anthracen-9-yl]naphtho[2,1-b][1]benzofuran?

The InChIKey is VKJJPKBWIFYWCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H28O3/c1-2-14-30(15-3-1)43-28-31-27-40(47-37-21-10-11-24-41(37)51-50(47)48(31)53-43)45-35-19-8-6-17-33(35)44(34-18-7-9-20-36(34)45)38-22-12-23-39-46-32-16-5-4-13-29(32)25-26-42(46)52-49(38)39/h1-28H.

What are the key properties of 8-[10-(2-phenyl-[1]benzofuro[3,2-g][1]benzofuran-5-yl)anthracen-9-yl]naphtho[2,1-b][1]benzofuran?

8-[10-(2-phenyl-[1]benzofuro[3,2-g][1]benzofuran-5-yl)anthracen-9-yl]naphtho[2,1-b][1]benzofuran has a molecular weight of 676.77 g/mol, XLogP of 14.69, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 8-[10-(2-phenyl-[1]benzofuro[3,2-g][1]benzofuran-5-yl)anthracen-9-yl]naphtho[2,1-b][1]benzofuran is sourced from PubChem (CID 174264176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).