9-phenyl-3-[10-(3-phenyl-[1]benzofuro[2,3-g][1]benzofuran-2-yl)anthracen-9-yl]carbazole

C52H31NO2 — CID 176745422

About 9-phenyl-3-[10-(3-phenyl-[1]benzofuro[2,3-g][1]benzofuran-2-yl)anthracen-9-yl]carbazole

9-phenyl-3-[10-(3-phenyl-[1]benzofuro[2,3-g][1]benzofuran-2-yl)anthracen-9-yl]carbazole (PubChem CID 176745422) has the molecular formula C52H31NO2 and a molecular weight of 701.83 g/mol. Its IUPAC name is 9-phenyl-3-[10-(3-phenyl-[1]benzofuro[2,3-g][1]benzofuran-2-yl)anthracen-9-yl]carbazole.

Molecular Properties

• Compound Name: 9-phenyl-3-[10-(3-phenyl-[1]benzofuro[2,3-g][1]benzofuran-2-yl)anthracen-9-yl]carbazole
• PubChem CID: 176745422
• Molecular Formula: C52H31NO2
• Molecular Weight: 701.83 g/mol
• Exact Mass: 701.24
• IUPAC Name: 9-phenyl-3-[10-(3-phenyl-[1]benzofuro[2,3-g][1]benzofuran-2-yl)anthracen-9-yl]carbazole
• SMILES: c1ccc(-c2c(-c3c4ccccc4c(-c4ccc5c(c4)c4ccccc4n5-c4ccccc4)c4ccccc34)oc3c2ccc2oc4ccccc4c23)cc1
• InChI: InChI=1S/C52H31NO2/c1-3-15-32(16-4-1)48-41-28-30-46-50(40-24-12-14-26-45(40)54-46)51(41)55-52(48)49-38-22-9-7-20-36(38)47(37-21-8-10-23-39(37)49)33-27-29-44-42(31-33)35-19-11-13-25-43(35)53(44)34-17-5-2-6-18-34/h1-31H
• InChIKey: ZKYCOWAMDYBICA-UHFFFAOYSA-N
• XLogP: 14.74
• TPSA: 31.21 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 4
• Heavy Atoms: 55
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	701.83
LogP ≤ 5	14.74
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 9-phenyl-3-[10-(3-phenyl-[1]benzofuro[2,3-g][1]benzofuran-2-yl)anthracen-9-yl]carbazole?

The IUPAC name of 9-phenyl-3-[10-(3-phenyl-[1]benzofuro[2,3-g][1]benzofuran-2-yl)anthracen-9-yl]carbazole (CID 176745422) is 9-phenyl-3-[10-(3-phenyl-[1]benzofuro[2,3-g][1]benzofuran-2-yl)anthracen-9-yl]carbazole.

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

The canonical SMILES for 9-phenyl-3-[10-(3-phenyl-[1]benzofuro[2,3-g][1]benzofuran-2-yl)anthracen-9-yl]carbazole is c1ccc(-c2c(-c3c4ccccc4c(-c4ccc5c(c4)c4ccccc4n5-c4ccccc4)c4ccccc34)oc3c2ccc2oc4ccccc4c23)cc1.

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

The InChIKey is ZKYCOWAMDYBICA-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H31NO2/c1-3-15-32(16-4-1)48-41-28-30-46-50(40-24-12-14-26-45(40)54-46)51(41)55-52(48)49-38-22-9-7-20-36(38)47(37-21-8-10-23-39(37)49)33-27-29-44-42(31-33)35-19-11-13-25-43(35)53(44)34-17-5-2-6-18-34/h1-31H.

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

9-phenyl-3-[10-(3-phenyl-[1]benzofuro[2,3-g][1]benzofuran-2-yl)anthracen-9-yl]carbazole has a molecular weight of 701.83 g/mol, XLogP of 14.74, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 9-phenyl-3-[10-(3-phenyl-[1]benzofuro[2,3-g][1]benzofuran-2-yl)anthracen-9-yl]carbazole is sourced from PubChem (CID 176745422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).