6-[8-naphtho[2,3-b][1]benzofuran-6-yl-10-(4-phenylphenyl)anthracen-1-yl]naphtho[2,3-b][1]benzofuran

C58H34O2 — CID 155334904

About 6-[8-naphtho[2,3-b][1]benzofuran-6-yl-10-(4-phenylphenyl)anthracen-1-yl]naphtho[2,3-b][1]benzofuran

6-[8-naphtho[2,3-b][1]benzofuran-6-yl-10-(4-phenylphenyl)anthracen-1-yl]naphtho[2,3-b][1]benzofuran (PubChem CID 155334904) has the molecular formula C58H34O2 and a molecular weight of 762.91 g/mol. Its IUPAC name is 6-[8-naphtho[2,3-b][1]benzofuran-6-yl-10-(4-phenylphenyl)anthracen-1-yl]naphtho[2,3-b][1]benzofuran.

Molecular Properties

• Compound Name: 6-[8-naphtho[2,3-b][1]benzofuran-6-yl-10-(4-phenylphenyl)anthracen-1-yl]naphtho[2,3-b][1]benzofuran
• PubChem CID: 155334904
• Molecular Formula: C58H34O2
• Molecular Weight: 762.91 g/mol
• Exact Mass: 762.26
• IUPAC Name: 6-[8-naphtho[2,3-b][1]benzofuran-6-yl-10-(4-phenylphenyl)anthracen-1-yl]naphtho[2,3-b][1]benzofuran
• SMILES: c1ccc(-c2ccc(-c3c4cccc(-c5c6ccccc6cc6c5oc5ccccc56)c4cc4c(-c5c6ccccc6cc6c5oc5ccccc56)cccc34)cc2)cc1
• InChI: InChI=1S/C58H34O2/c1-2-14-35(15-3-1)36-28-30-37(31-29-36)54-44-22-12-24-46(55-40-18-6-4-16-38(40)32-50-42-20-8-10-26-52(42)59-57(50)55)48(44)34-49-45(54)23-13-25-47(49)56-41-19-7-5-17-39(41)33-51-43-21-9-11-27-53(43)60-58(51)56/h1-34H
• InChIKey: TUJXQDRRLLXXAD-UHFFFAOYSA-N
• XLogP: 16.77
• TPSA: 26.28 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 4
• Heavy Atoms: 60
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	762.91
LogP ≤ 5	16.77
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[2,3-b][1]benzofuran-6-yl-10-(4-phenylphenyl)anthracen-1-yl]naphtho[2,3-b][1]benzofuran?

The IUPAC name of 6-[8-naphtho[2,3-b][1]benzofuran-6-yl-10-(4-phenylphenyl)anthracen-1-yl]naphtho[2,3-b][1]benzofuran (CID 155334904) is 6-[8-naphtho[2,3-b][1]benzofuran-6-yl-10-(4-phenylphenyl)anthracen-1-yl]naphtho[2,3-b][1]benzofuran.

What is the SMILES notation for 6-[8-naphtho[2,3-b][1]benzofuran-6-yl-10-(4-phenylphenyl)anthracen-1-yl]naphtho[2,3-b][1]benzofuran?

The canonical SMILES for 6-[8-naphtho[2,3-b][1]benzofuran-6-yl-10-(4-phenylphenyl)anthracen-1-yl]naphtho[2,3-b][1]benzofuran is c1ccc(-c2ccc(-c3c4cccc(-c5c6ccccc6cc6c5oc5ccccc56)c4cc4c(-c5c6ccccc6cc6c5oc5ccccc56)cccc34)cc2)cc1.

What is the InChIKey of 6-[8-naphtho[2,3-b][1]benzofuran-6-yl-10-(4-phenylphenyl)anthracen-1-yl]naphtho[2,3-b][1]benzofuran?

The InChIKey is TUJXQDRRLLXXAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H34O2/c1-2-14-35(15-3-1)36-28-30-37(31-29-36)54-44-22-12-24-46(55-40-18-6-4-16-38(40)32-50-42-20-8-10-26-52(42)59-57(50)55)48(44)34-49-45(54)23-13-25-47(49)56-41-19-7-5-17-39(41)33-51-43-21-9-11-27-53(43)60-58(51)56/h1-34H.

What are the key properties of 6-[8-naphtho[2,3-b][1]benzofuran-6-yl-10-(4-phenylphenyl)anthracen-1-yl]naphtho[2,3-b][1]benzofuran?

6-[8-naphtho[2,3-b][1]benzofuran-6-yl-10-(4-phenylphenyl)anthracen-1-yl]naphtho[2,3-b][1]benzofuran has a molecular weight of 762.91 g/mol, XLogP of 16.77, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[8-naphtho[2,3-b][1]benzofuran-6-yl-10-(4-phenylphenyl)anthracen-1-yl]naphtho[2,3-b][1]benzofuran is sourced from PubChem (CID 155334904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).