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

C50H28O3 — CID 174264292

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

2-[10-(1-phenyl-[1]benzofuro[3,2-e][1]benzofuran-2-yl)anthracen-9-yl]naphtho[1,2-b][1]benzofuran (PubChem CID 174264292) has the molecular formula C50H28O3 and a molecular weight of 676.77 g/mol. Its IUPAC name is 2-[10-(1-phenyl-[1]benzofuro[3,2-e][1]benzofuran-2-yl)anthracen-9-yl]naphtho[1,2-b][1]benzofuran.

Molecular Properties

• Compound Name: 2-[10-(1-phenyl-[1]benzofuro[3,2-e][1]benzofuran-2-yl)anthracen-9-yl]naphtho[1,2-b][1]benzofuran
• PubChem CID: 174264292
• Molecular Formula: C50H28O3
• Molecular Weight: 676.77 g/mol
• Exact Mass: 676.20
• IUPAC Name: 2-[10-(1-phenyl-[1]benzofuro[3,2-e][1]benzofuran-2-yl)anthracen-9-yl]naphtho[1,2-b][1]benzofuran
• SMILES: c1ccc(-c2c(-c3c4ccccc4c(-c4ccc5ccc6c7ccccc7oc6c5c4)c4ccccc34)oc3ccc4oc5ccccc5c4c23)cc1
• InChI: InChI=1S/C50H28O3/c1-2-12-30(13-3-1)45-48-43(27-26-42-47(48)38-19-9-11-21-41(38)51-42)53-50(45)46-35-17-6-4-15-33(35)44(34-16-5-7-18-36(34)46)31-23-22-29-24-25-37-32-14-8-10-20-40(32)52-49(37)39(29)28-31/h1-28H
• InChIKey: GJVOJRYUTPOSOI-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 2-[10-(1-phenyl-[1]benzofuro[3,2-e][1]benzofuran-2-yl)anthracen-9-yl]naphtho[1,2-b][1]benzofuran?

The IUPAC name of 2-[10-(1-phenyl-[1]benzofuro[3,2-e][1]benzofuran-2-yl)anthracen-9-yl]naphtho[1,2-b][1]benzofuran (CID 174264292) is 2-[10-(1-phenyl-[1]benzofuro[3,2-e][1]benzofuran-2-yl)anthracen-9-yl]naphtho[1,2-b][1]benzofuran.

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

The canonical SMILES for 2-[10-(1-phenyl-[1]benzofuro[3,2-e][1]benzofuran-2-yl)anthracen-9-yl]naphtho[1,2-b][1]benzofuran is c1ccc(-c2c(-c3c4ccccc4c(-c4ccc5ccc6c7ccccc7oc6c5c4)c4ccccc34)oc3ccc4oc5ccccc5c4c23)cc1.

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

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

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

2-[10-(1-phenyl-[1]benzofuro[3,2-e][1]benzofuran-2-yl)anthracen-9-yl]naphtho[1,2-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 2-[10-(1-phenyl-[1]benzofuro[3,2-e][1]benzofuran-2-yl)anthracen-9-yl]naphtho[1,2-b][1]benzofuran is sourced from PubChem (CID 174264292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).