2-[10-([1]benzofuro[4,5-b][1]benzofuran-7-yl)anthracen-9-yl]-9-phenylcarbazole

C46H27NO2 — CID 176745473

About 2-[10-([1]benzofuro[4,5-b][1]benzofuran-7-yl)anthracen-9-yl]-9-phenylcarbazole

2-[10-([1]benzofuro[4,5-b][1]benzofuran-7-yl)anthracen-9-yl]-9-phenylcarbazole (PubChem CID 176745473) has the molecular formula C46H27NO2 and a molecular weight of 625.73 g/mol. Its IUPAC name is 2-[10-([1]benzofuro[4,5-b][1]benzofuran-7-yl)anthracen-9-yl]-9-phenylcarbazole.

Molecular Properties

• Compound Name: 2-[10-([1]benzofuro[4,5-b][1]benzofuran-7-yl)anthracen-9-yl]-9-phenylcarbazole
• PubChem CID: 176745473
• Molecular Formula: C46H27NO2
• Molecular Weight: 625.73 g/mol
• Exact Mass: 625.20
• IUPAC Name: 2-[10-([1]benzofuro[4,5-b][1]benzofuran-7-yl)anthracen-9-yl]-9-phenylcarbazole
• SMILES: c1ccc(-n2c3ccccc3c3ccc(-c4c5ccccc5c(-c5ccc6oc7c8ccoc8ccc7c6c5)c5ccccc45)cc32)cc1
• InChI: InChI=1S/C46H27NO2/c1-2-10-30(11-3-1)47-40-17-9-8-12-31(40)32-20-18-29(27-41(32)47)45-35-15-6-4-13-33(35)44(34-14-5-7-16-36(34)45)28-19-22-43-39(26-28)37-21-23-42-38(24-25-48-42)46(37)49-43/h1-27H
• InChIKey: ODCSOYKZLBIODJ-UHFFFAOYSA-N
• XLogP: 13.07
• TPSA: 31.21 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 3
• Heavy Atoms: 49
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	625.73
LogP ≤ 5	13.07
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-([1]benzofuro[4,5-b][1]benzofuran-7-yl)anthracen-9-yl]-9-phenylcarbazole?

The IUPAC name of 2-[10-([1]benzofuro[4,5-b][1]benzofuran-7-yl)anthracen-9-yl]-9-phenylcarbazole (CID 176745473) is 2-[10-([1]benzofuro[4,5-b][1]benzofuran-7-yl)anthracen-9-yl]-9-phenylcarbazole.

What is the SMILES notation for 2-[10-([1]benzofuro[4,5-b][1]benzofuran-7-yl)anthracen-9-yl]-9-phenylcarbazole?

The canonical SMILES for 2-[10-([1]benzofuro[4,5-b][1]benzofuran-7-yl)anthracen-9-yl]-9-phenylcarbazole is c1ccc(-n2c3ccccc3c3ccc(-c4c5ccccc5c(-c5ccc6oc7c8ccoc8ccc7c6c5)c5ccccc45)cc32)cc1.

What is the InChIKey of 2-[10-([1]benzofuro[4,5-b][1]benzofuran-7-yl)anthracen-9-yl]-9-phenylcarbazole?

The InChIKey is ODCSOYKZLBIODJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H27NO2/c1-2-10-30(11-3-1)47-40-17-9-8-12-31(40)32-20-18-29(27-41(32)47)45-35-15-6-4-13-33(35)44(34-14-5-7-16-36(34)45)28-19-22-43-39(26-28)37-21-23-42-38(24-25-48-42)46(37)49-43/h1-27H.

What are the key properties of 2-[10-([1]benzofuro[4,5-b][1]benzofuran-7-yl)anthracen-9-yl]-9-phenylcarbazole?

2-[10-([1]benzofuro[4,5-b][1]benzofuran-7-yl)anthracen-9-yl]-9-phenylcarbazole has a molecular weight of 625.73 g/mol, XLogP of 13.07, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[10-([1]benzofuro[4,5-b][1]benzofuran-7-yl)anthracen-9-yl]-9-phenylcarbazole is sourced from PubChem (CID 176745473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).