9-phenyl-3-[10-(2-phenyl-[1]benzofuro[6,7-b][1]benzofuran-5-yl)anthracen-9-yl]carbazole

C52H31NO2 — CID 176745637

About 9-phenyl-3-[10-(2-phenyl-[1]benzofuro[6,7-b][1]benzofuran-5-yl)anthracen-9-yl]carbazole

9-phenyl-3-[10-(2-phenyl-[1]benzofuro[6,7-b][1]benzofuran-5-yl)anthracen-9-yl]carbazole (PubChem CID 176745637) has the molecular formula C52H31NO2 and a molecular weight of 701.83 g/mol. Its IUPAC name is 9-phenyl-3-[10-(2-phenyl-[1]benzofuro[6,7-b][1]benzofuran-5-yl)anthracen-9-yl]carbazole.

Molecular Properties

• Compound Name: 9-phenyl-3-[10-(2-phenyl-[1]benzofuro[6,7-b][1]benzofuran-5-yl)anthracen-9-yl]carbazole
• PubChem CID: 176745637
• Molecular Formula: C52H31NO2
• Molecular Weight: 701.83 g/mol
• Exact Mass: 701.24
• IUPAC Name: 9-phenyl-3-[10-(2-phenyl-[1]benzofuro[6,7-b][1]benzofuran-5-yl)anthracen-9-yl]carbazole
• SMILES: c1ccc(-c2cc3cc(-c4c5ccccc5c(-c5ccc6c(c5)c5ccccc5n6-c5ccccc5)c5ccccc45)c4oc5ccccc5c4c3o2)cc1
• InChI: InChI=1S/C52H31NO2/c1-3-15-32(16-4-1)47-31-34-30-43(52-50(51(34)55-47)41-24-12-14-26-46(41)54-52)49-39-22-9-7-20-37(39)48(38-21-8-10-23-40(38)49)33-27-28-45-42(29-33)36-19-11-13-25-44(36)53(45)35-17-5-2-6-18-35/h1-31H
• InChIKey: GHRRJVLVKAOTSH-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-(2-phenyl-[1]benzofuro[6,7-b][1]benzofuran-5-yl)anthracen-9-yl]carbazole?

The IUPAC name of 9-phenyl-3-[10-(2-phenyl-[1]benzofuro[6,7-b][1]benzofuran-5-yl)anthracen-9-yl]carbazole (CID 176745637) is 9-phenyl-3-[10-(2-phenyl-[1]benzofuro[6,7-b][1]benzofuran-5-yl)anthracen-9-yl]carbazole.

What is the SMILES notation for 9-phenyl-3-[10-(2-phenyl-[1]benzofuro[6,7-b][1]benzofuran-5-yl)anthracen-9-yl]carbazole?

The canonical SMILES for 9-phenyl-3-[10-(2-phenyl-[1]benzofuro[6,7-b][1]benzofuran-5-yl)anthracen-9-yl]carbazole is c1ccc(-c2cc3cc(-c4c5ccccc5c(-c5ccc6c(c5)c5ccccc5n6-c5ccccc5)c5ccccc45)c4oc5ccccc5c4c3o2)cc1.

What is the InChIKey of 9-phenyl-3-[10-(2-phenyl-[1]benzofuro[6,7-b][1]benzofuran-5-yl)anthracen-9-yl]carbazole?

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

What are the key properties of 9-phenyl-3-[10-(2-phenyl-[1]benzofuro[6,7-b][1]benzofuran-5-yl)anthracen-9-yl]carbazole?

9-phenyl-3-[10-(2-phenyl-[1]benzofuro[6,7-b][1]benzofuran-5-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-(2-phenyl-[1]benzofuro[6,7-b][1]benzofuran-5-yl)anthracen-9-yl]carbazole is sourced from PubChem (CID 176745637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).