2-(2-naphthalen-2-yl-10-naphtho[2,3-b][1]benzofuran-2-ylanthracen-9-yl)naphtho[2,3-b][1]benzofuran

C56H32O2 — CID 118402714

About 2-(2-naphthalen-2-yl-10-naphtho[2,3-b][1]benzofuran-2-ylanthracen-9-yl)naphtho[2,3-b][1]benzofuran

2-(2-naphthalen-2-yl-10-naphtho[2,3-b][1]benzofuran-2-ylanthracen-9-yl)naphtho[2,3-b][1]benzofuran (PubChem CID 118402714) has the molecular formula C56H32O2 and a molecular weight of 736.87 g/mol. Its IUPAC name is 2-(2-naphthalen-2-yl-10-naphtho[2,3-b][1]benzofuran-2-ylanthracen-9-yl)naphtho[2,3-b][1]benzofuran.

Molecular Properties

• Compound Name: 2-(2-naphthalen-2-yl-10-naphtho[2,3-b][1]benzofuran-2-ylanthracen-9-yl)naphtho[2,3-b][1]benzofuran
• PubChem CID: 118402714
• Molecular Formula: C56H32O2
• Molecular Weight: 736.87 g/mol
• Exact Mass: 736.24
• IUPAC Name: 2-(2-naphthalen-2-yl-10-naphtho[2,3-b][1]benzofuran-2-ylanthracen-9-yl)naphtho[2,3-b][1]benzofuran
• SMILES: c1ccc2cc(-c3ccc4c(-c5ccc6oc7cc8ccccc8cc7c6c5)c5ccccc5c(-c5ccc6oc7cc8ccccc8cc7c6c5)c4c3)ccc2c1
• InChI: InChI=1S/C56H32O2/c1-2-10-34-25-39(18-17-33(34)9-1)40-19-22-45-50(28-40)56(42-21-24-52-47(30-42)49-27-36-12-4-6-14-38(36)32-54(49)58-52)44-16-8-7-15-43(44)55(45)41-20-23-51-46(29-41)48-26-35-11-3-5-13-37(35)31-53(48)57-51/h1-32H
• InChIKey: IYBUNBNQYVDPFD-UHFFFAOYSA-N
• XLogP: 16.25
• TPSA: 26.28 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 3
• Heavy Atoms: 58
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	736.87
LogP ≤ 5	16.25
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 2-(2-naphthalen-2-yl-10-naphtho[2,3-b][1]benzofuran-2-ylanthracen-9-yl)naphtho[2,3-b][1]benzofuran?

The IUPAC name of 2-(2-naphthalen-2-yl-10-naphtho[2,3-b][1]benzofuran-2-ylanthracen-9-yl)naphtho[2,3-b][1]benzofuran (CID 118402714) is 2-(2-naphthalen-2-yl-10-naphtho[2,3-b][1]benzofuran-2-ylanthracen-9-yl)naphtho[2,3-b][1]benzofuran.

What is the SMILES notation for 2-(2-naphthalen-2-yl-10-naphtho[2,3-b][1]benzofuran-2-ylanthracen-9-yl)naphtho[2,3-b][1]benzofuran?

The canonical SMILES for 2-(2-naphthalen-2-yl-10-naphtho[2,3-b][1]benzofuran-2-ylanthracen-9-yl)naphtho[2,3-b][1]benzofuran is c1ccc2cc(-c3ccc4c(-c5ccc6oc7cc8ccccc8cc7c6c5)c5ccccc5c(-c5ccc6oc7cc8ccccc8cc7c6c5)c4c3)ccc2c1.

What is the InChIKey of 2-(2-naphthalen-2-yl-10-naphtho[2,3-b][1]benzofuran-2-ylanthracen-9-yl)naphtho[2,3-b][1]benzofuran?

The InChIKey is IYBUNBNQYVDPFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H32O2/c1-2-10-34-25-39(18-17-33(34)9-1)40-19-22-45-50(28-40)56(42-21-24-52-47(30-42)49-27-36-12-4-6-14-38(36)32-54(49)58-52)44-16-8-7-15-43(44)55(45)41-20-23-51-46(29-41)48-26-35-11-3-5-13-37(35)31-53(48)57-51/h1-32H.

What are the key properties of 2-(2-naphthalen-2-yl-10-naphtho[2,3-b][1]benzofuran-2-ylanthracen-9-yl)naphtho[2,3-b][1]benzofuran?

2-(2-naphthalen-2-yl-10-naphtho[2,3-b][1]benzofuran-2-ylanthracen-9-yl)naphtho[2,3-b][1]benzofuran has a molecular weight of 736.87 g/mol, XLogP of 16.25, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(2-naphthalen-2-yl-10-naphtho[2,3-b][1]benzofuran-2-ylanthracen-9-yl)naphtho[2,3-b][1]benzofuran is sourced from PubChem (CID 118402714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).