8-[10-(1,2-diphenyl-[1]benzofuro[5,6-b][1]benzofuran-6-yl)anthracen-9-yl]naphtho[1,2-b][1]benzofuran

C56H32O3 — CID 174264411

About 8-[10-(1,2-diphenyl-[1]benzofuro[5,6-b][1]benzofuran-6-yl)anthracen-9-yl]naphtho[1,2-b][1]benzofuran

8-[10-(1,2-diphenyl-[1]benzofuro[5,6-b][1]benzofuran-6-yl)anthracen-9-yl]naphtho[1,2-b][1]benzofuran (PubChem CID 174264411) has the molecular formula C56H32O3 and a molecular weight of 752.87 g/mol. Its IUPAC name is 8-[10-(1,2-diphenyl-[1]benzofuro[5,6-b][1]benzofuran-6-yl)anthracen-9-yl]naphtho[1,2-b][1]benzofuran.

Molecular Properties

• Compound Name: 8-[10-(1,2-diphenyl-[1]benzofuro[5,6-b][1]benzofuran-6-yl)anthracen-9-yl]naphtho[1,2-b][1]benzofuran
• PubChem CID: 174264411
• Molecular Formula: C56H32O3
• Molecular Weight: 752.87 g/mol
• Exact Mass: 752.24
• IUPAC Name: 8-[10-(1,2-diphenyl-[1]benzofuro[5,6-b][1]benzofuran-6-yl)anthracen-9-yl]naphtho[1,2-b][1]benzofuran
• SMILES: c1ccc(-c2oc3cc4c(cc3c2-c2ccccc2)oc2ccc(-c3c5ccccc5c(-c5ccc6oc7c8ccccc8ccc7c6c5)c5ccccc35)cc24)cc1
• InChI: InChI=1S/C56H32O3/c1-3-14-34(15-4-1)54-47-32-50-46(31-51(47)59-55(54)35-16-5-2-6-17-35)45-30-37(24-27-48(45)57-50)53-41-21-11-9-19-39(41)52(40-20-10-12-22-42(40)53)36-25-28-49-44(29-36)43-26-23-33-13-7-8-18-38(33)56(43)58-49/h1-32H
• InChIKey: BOODLMITNYPKFG-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 8-[10-(1,2-diphenyl-[1]benzofuro[5,6-b][1]benzofuran-6-yl)anthracen-9-yl]naphtho[1,2-b][1]benzofuran?

The IUPAC name of 8-[10-(1,2-diphenyl-[1]benzofuro[5,6-b][1]benzofuran-6-yl)anthracen-9-yl]naphtho[1,2-b][1]benzofuran (CID 174264411) is 8-[10-(1,2-diphenyl-[1]benzofuro[5,6-b][1]benzofuran-6-yl)anthracen-9-yl]naphtho[1,2-b][1]benzofuran.

What is the SMILES notation for 8-[10-(1,2-diphenyl-[1]benzofuro[5,6-b][1]benzofuran-6-yl)anthracen-9-yl]naphtho[1,2-b][1]benzofuran?

The canonical SMILES for 8-[10-(1,2-diphenyl-[1]benzofuro[5,6-b][1]benzofuran-6-yl)anthracen-9-yl]naphtho[1,2-b][1]benzofuran is c1ccc(-c2oc3cc4c(cc3c2-c2ccccc2)oc2ccc(-c3c5ccccc5c(-c5ccc6oc7c8ccccc8ccc7c6c5)c5ccccc35)cc24)cc1.

What is the InChIKey of 8-[10-(1,2-diphenyl-[1]benzofuro[5,6-b][1]benzofuran-6-yl)anthracen-9-yl]naphtho[1,2-b][1]benzofuran?

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

What are the key properties of 8-[10-(1,2-diphenyl-[1]benzofuro[5,6-b][1]benzofuran-6-yl)anthracen-9-yl]naphtho[1,2-b][1]benzofuran?

8-[10-(1,2-diphenyl-[1]benzofuro[5,6-b][1]benzofuran-6-yl)anthracen-9-yl]naphtho[1,2-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 8-[10-(1,2-diphenyl-[1]benzofuro[5,6-b][1]benzofuran-6-yl)anthracen-9-yl]naphtho[1,2-b][1]benzofuran is sourced from PubChem (CID 174264411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).