3-[10-(1,2-diphenyl-[1]benzofuro[3,2-e][1]benzofuran-7-yl)anthracen-9-yl]naphtho[2,3-b][1]benzofuran

C56H32O3 — CID 176745247

About 3-[10-(1,2-diphenyl-[1]benzofuro[3,2-e][1]benzofuran-7-yl)anthracen-9-yl]naphtho[2,3-b][1]benzofuran

3-[10-(1,2-diphenyl-[1]benzofuro[3,2-e][1]benzofuran-7-yl)anthracen-9-yl]naphtho[2,3-b][1]benzofuran (PubChem CID 176745247) has the molecular formula C56H32O3 and a molecular weight of 752.87 g/mol. Its IUPAC name is 3-[10-(1,2-diphenyl-[1]benzofuro[3,2-e][1]benzofuran-7-yl)anthracen-9-yl]naphtho[2,3-b][1]benzofuran.

Molecular Properties

• Compound Name: 3-[10-(1,2-diphenyl-[1]benzofuro[3,2-e][1]benzofuran-7-yl)anthracen-9-yl]naphtho[2,3-b][1]benzofuran
• PubChem CID: 176745247
• Molecular Formula: C56H32O3
• Molecular Weight: 752.87 g/mol
• Exact Mass: 752.24
• IUPAC Name: 3-[10-(1,2-diphenyl-[1]benzofuro[3,2-e][1]benzofuran-7-yl)anthracen-9-yl]naphtho[2,3-b][1]benzofuran
• SMILES: c1ccc(-c2oc3ccc4oc5c(-c6c7ccccc7c(-c7ccc8c(c7)oc7cc9ccccc9cc78)c7ccccc67)cccc5c4c3c2-c2ccccc2)cc1
• InChI: InChI=1S/C56H32O3/c1-3-14-33(15-4-1)51-54-47(58-55(51)34-16-5-2-6-17-34)29-28-46-53(54)44-25-13-24-43(56(44)59-46)52-41-22-11-9-20-39(41)50(40-21-10-12-23-42(40)52)37-26-27-38-45-30-35-18-7-8-19-36(35)31-49(45)57-48(38)32-37/h1-32H
• InChIKey: FVXDMPCJPACOIK-UHFFFAOYSA-N
• XLogP: 16.36
• TPSA: 39.42 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 4
• Heavy Atoms: 59
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	752.87
LogP ≤ 5	16.36
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 3-[10-(1,2-diphenyl-[1]benzofuro[3,2-e][1]benzofuran-7-yl)anthracen-9-yl]naphtho[2,3-b][1]benzofuran?

The IUPAC name of 3-[10-(1,2-diphenyl-[1]benzofuro[3,2-e][1]benzofuran-7-yl)anthracen-9-yl]naphtho[2,3-b][1]benzofuran (CID 176745247) is 3-[10-(1,2-diphenyl-[1]benzofuro[3,2-e][1]benzofuran-7-yl)anthracen-9-yl]naphtho[2,3-b][1]benzofuran.

What is the SMILES notation for 3-[10-(1,2-diphenyl-[1]benzofuro[3,2-e][1]benzofuran-7-yl)anthracen-9-yl]naphtho[2,3-b][1]benzofuran?

The canonical SMILES for 3-[10-(1,2-diphenyl-[1]benzofuro[3,2-e][1]benzofuran-7-yl)anthracen-9-yl]naphtho[2,3-b][1]benzofuran is c1ccc(-c2oc3ccc4oc5c(-c6c7ccccc7c(-c7ccc8c(c7)oc7cc9ccccc9cc78)c7ccccc67)cccc5c4c3c2-c2ccccc2)cc1.

What is the InChIKey of 3-[10-(1,2-diphenyl-[1]benzofuro[3,2-e][1]benzofuran-7-yl)anthracen-9-yl]naphtho[2,3-b][1]benzofuran?

The InChIKey is FVXDMPCJPACOIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H32O3/c1-3-14-33(15-4-1)51-54-47(58-55(51)34-16-5-2-6-17-34)29-28-46-53(54)44-25-13-24-43(56(44)59-46)52-41-22-11-9-20-39(41)50(40-21-10-12-23-42(40)52)37-26-27-38-45-30-35-18-7-8-19-36(35)31-49(45)57-48(38)32-37/h1-32H.

What are the key properties of 3-[10-(1,2-diphenyl-[1]benzofuro[3,2-e][1]benzofuran-7-yl)anthracen-9-yl]naphtho[2,3-b][1]benzofuran?

3-[10-(1,2-diphenyl-[1]benzofuro[3,2-e][1]benzofuran-7-yl)anthracen-9-yl]naphtho[2,3-b][1]benzofuran has a molecular weight of 752.87 g/mol, XLogP of 16.36, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[10-(1,2-diphenyl-[1]benzofuro[3,2-e][1]benzofuran-7-yl)anthracen-9-yl]naphtho[2,3-b][1]benzofuran is sourced from PubChem (CID 176745247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).