2-[10-(2,3-diphenyl-[1]benzofuro[2,3-g][1]benzofuran-8-yl)anthracen-9-yl]-9-phenylcarbazole

C58H35NO2 — CID 176744039

About 2-[10-(2,3-diphenyl-[1]benzofuro[2,3-g][1]benzofuran-8-yl)anthracen-9-yl]-9-phenylcarbazole

2-[10-(2,3-diphenyl-[1]benzofuro[2,3-g][1]benzofuran-8-yl)anthracen-9-yl]-9-phenylcarbazole (PubChem CID 176744039) has the molecular formula C58H35NO2 and a molecular weight of 777.92 g/mol. Its IUPAC name is 2-[10-(2,3-diphenyl-[1]benzofuro[2,3-g][1]benzofuran-8-yl)anthracen-9-yl]-9-phenylcarbazole.

Molecular Properties

• Compound Name: 2-[10-(2,3-diphenyl-[1]benzofuro[2,3-g][1]benzofuran-8-yl)anthracen-9-yl]-9-phenylcarbazole
• PubChem CID: 176744039
• Molecular Formula: C58H35NO2
• Molecular Weight: 777.92 g/mol
• Exact Mass: 777.27
• IUPAC Name: 2-[10-(2,3-diphenyl-[1]benzofuro[2,3-g][1]benzofuran-8-yl)anthracen-9-yl]-9-phenylcarbazole
• SMILES: c1ccc(-c2oc3c(ccc4oc5cc(-c6c7ccccc7c(-c7ccc8c9ccccc9n(-c9ccccc9)c8c7)c7ccccc67)ccc5c43)c2-c2ccccc2)cc1
• InChI: InChI=1S/C58H35NO2/c1-4-16-36(17-5-1)55-48-32-33-51-56(58(48)61-57(55)37-18-6-2-7-19-37)47-31-29-39(35-52(47)60-51)54-45-25-12-10-23-43(45)53(44-24-11-13-26-46(44)54)38-28-30-42-41-22-14-15-27-49(41)59(50(42)34-38)40-20-8-3-9-21-40/h1-35H
• InChIKey: MOFHPQCXSBAQBM-UHFFFAOYSA-N
• XLogP: 16.40
• TPSA: 31.21 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 5
• Heavy Atoms: 61
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	777.92
LogP ≤ 5	16.40
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-(2,3-diphenyl-[1]benzofuro[2,3-g][1]benzofuran-8-yl)anthracen-9-yl]-9-phenylcarbazole?

The IUPAC name of 2-[10-(2,3-diphenyl-[1]benzofuro[2,3-g][1]benzofuran-8-yl)anthracen-9-yl]-9-phenylcarbazole (CID 176744039) is 2-[10-(2,3-diphenyl-[1]benzofuro[2,3-g][1]benzofuran-8-yl)anthracen-9-yl]-9-phenylcarbazole.

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

The canonical SMILES for 2-[10-(2,3-diphenyl-[1]benzofuro[2,3-g][1]benzofuran-8-yl)anthracen-9-yl]-9-phenylcarbazole is c1ccc(-c2oc3c(ccc4oc5cc(-c6c7ccccc7c(-c7ccc8c9ccccc9n(-c9ccccc9)c8c7)c7ccccc67)ccc5c43)c2-c2ccccc2)cc1.

What is the InChIKey of 2-[10-(2,3-diphenyl-[1]benzofuro[2,3-g][1]benzofuran-8-yl)anthracen-9-yl]-9-phenylcarbazole?

The InChIKey is MOFHPQCXSBAQBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H35NO2/c1-4-16-36(17-5-1)55-48-32-33-51-56(58(48)61-57(55)37-18-6-2-7-19-37)47-31-29-39(35-52(47)60-51)54-45-25-12-10-23-43(45)53(44-24-11-13-26-46(44)54)38-28-30-42-41-22-14-15-27-49(41)59(50(42)34-38)40-20-8-3-9-21-40/h1-35H.

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

2-[10-(2,3-diphenyl-[1]benzofuro[2,3-g][1]benzofuran-8-yl)anthracen-9-yl]-9-phenylcarbazole has a molecular weight of 777.92 g/mol, XLogP of 16.40, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[10-(2,3-diphenyl-[1]benzofuro[2,3-g][1]benzofuran-8-yl)anthracen-9-yl]-9-phenylcarbazole is sourced from PubChem (CID 176744039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).