6-[8-naphtho[2,1-b][1]benzofuran-6-yl-10-(4-phenylnaphthalen-2-yl)anthracen-1-yl]naphtho[2,1-b][1]benzofuran

C62H36O2 — CID 155335028

About 6-[8-naphtho[2,1-b][1]benzofuran-6-yl-10-(4-phenylnaphthalen-2-yl)anthracen-1-yl]naphtho[2,1-b][1]benzofuran

6-[8-naphtho[2,1-b][1]benzofuran-6-yl-10-(4-phenylnaphthalen-2-yl)anthracen-1-yl]naphtho[2,1-b][1]benzofuran (PubChem CID 155335028) has the molecular formula C62H36O2 and a molecular weight of 812.97 g/mol. Its IUPAC name is 6-[8-naphtho[2,1-b][1]benzofuran-6-yl-10-(4-phenylnaphthalen-2-yl)anthracen-1-yl]naphtho[2,1-b][1]benzofuran.

Molecular Properties

• Compound Name: 6-[8-naphtho[2,1-b][1]benzofuran-6-yl-10-(4-phenylnaphthalen-2-yl)anthracen-1-yl]naphtho[2,1-b][1]benzofuran
• PubChem CID: 155335028
• Molecular Formula: C62H36O2
• Molecular Weight: 812.97 g/mol
• Exact Mass: 812.27
• IUPAC Name: 6-[8-naphtho[2,1-b][1]benzofuran-6-yl-10-(4-phenylnaphthalen-2-yl)anthracen-1-yl]naphtho[2,1-b][1]benzofuran
• SMILES: c1ccc(-c2cc(-c3c4cccc(-c5cc6ccccc6c6c5oc5ccccc56)c4cc4c(-c5cc6ccccc6c6c5oc5ccccc56)cccc34)cc3ccccc23)cc1
• InChI: InChI=1S/C62H36O2/c1-2-16-37(17-3-1)51-35-41(32-38-18-4-7-21-42(38)51)58-47-28-14-26-45(54-33-39-19-5-8-22-43(39)59-49-24-10-12-30-56(49)63-61(54)59)52(47)36-53-46(27-15-29-48(53)58)55-34-40-20-6-9-23-44(40)60-50-25-11-13-31-57(50)64-62(55)60/h1-36H
• InChIKey: BAGNBWVJDJTZJQ-UHFFFAOYSA-N
• XLogP: 17.92
• TPSA: 26.28 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 4
• Heavy Atoms: 64
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	812.97
LogP ≤ 5	17.92
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 6-[8-naphtho[2,1-b][1]benzofuran-6-yl-10-(4-phenylnaphthalen-2-yl)anthracen-1-yl]naphtho[2,1-b][1]benzofuran?

The IUPAC name of 6-[8-naphtho[2,1-b][1]benzofuran-6-yl-10-(4-phenylnaphthalen-2-yl)anthracen-1-yl]naphtho[2,1-b][1]benzofuran (CID 155335028) is 6-[8-naphtho[2,1-b][1]benzofuran-6-yl-10-(4-phenylnaphthalen-2-yl)anthracen-1-yl]naphtho[2,1-b][1]benzofuran.

What is the SMILES notation for 6-[8-naphtho[2,1-b][1]benzofuran-6-yl-10-(4-phenylnaphthalen-2-yl)anthracen-1-yl]naphtho[2,1-b][1]benzofuran?

The canonical SMILES for 6-[8-naphtho[2,1-b][1]benzofuran-6-yl-10-(4-phenylnaphthalen-2-yl)anthracen-1-yl]naphtho[2,1-b][1]benzofuran is c1ccc(-c2cc(-c3c4cccc(-c5cc6ccccc6c6c5oc5ccccc56)c4cc4c(-c5cc6ccccc6c6c5oc5ccccc56)cccc34)cc3ccccc23)cc1.

What is the InChIKey of 6-[8-naphtho[2,1-b][1]benzofuran-6-yl-10-(4-phenylnaphthalen-2-yl)anthracen-1-yl]naphtho[2,1-b][1]benzofuran?

The InChIKey is BAGNBWVJDJTZJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C62H36O2/c1-2-16-37(17-3-1)51-35-41(32-38-18-4-7-21-42(38)51)58-47-28-14-26-45(54-33-39-19-5-8-22-43(39)59-49-24-10-12-30-56(49)63-61(54)59)52(47)36-53-46(27-15-29-48(53)58)55-34-40-20-6-9-23-44(40)60-50-25-11-13-31-57(50)64-62(55)60/h1-36H.

What are the key properties of 6-[8-naphtho[2,1-b][1]benzofuran-6-yl-10-(4-phenylnaphthalen-2-yl)anthracen-1-yl]naphtho[2,1-b][1]benzofuran?

6-[8-naphtho[2,1-b][1]benzofuran-6-yl-10-(4-phenylnaphthalen-2-yl)anthracen-1-yl]naphtho[2,1-b][1]benzofuran has a molecular weight of 812.97 g/mol, XLogP of 17.92, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[8-naphtho[2,1-b][1]benzofuran-6-yl-10-(4-phenylnaphthalen-2-yl)anthracen-1-yl]naphtho[2,1-b][1]benzofuran is sourced from PubChem (CID 155335028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).