2-[10-[7-(10-phenylanthracen-9-yl)dibenzoselenophen-1-yl]anthracen-9-yl]naphtho[2,3-b][1]benzofuran

C62H36OSe — CID 160746468

About 2-[10-[7-(10-phenylanthracen-9-yl)dibenzoselenophen-1-yl]anthracen-9-yl]naphtho[2,3-b][1]benzofuran

2-[10-[7-(10-phenylanthracen-9-yl)dibenzoselenophen-1-yl]anthracen-9-yl]naphtho[2,3-b][1]benzofuran (PubChem CID 160746468) has the molecular formula C62H36OSe and a molecular weight of 875.93 g/mol. Its IUPAC name is 2-[10-[7-(10-phenylanthracen-9-yl)dibenzoselenophen-1-yl]anthracen-9-yl]naphtho[2,3-b][1]benzofuran.

Molecular Properties

• Compound Name: 2-[10-[7-(10-phenylanthracen-9-yl)dibenzoselenophen-1-yl]anthracen-9-yl]naphtho[2,3-b][1]benzofuran
• PubChem CID: 160746468
• Molecular Formula: C62H36OSe
• Molecular Weight: 875.93 g/mol
• Exact Mass: 876.19
• IUPAC Name: 2-[10-[7-(10-phenylanthracen-9-yl)dibenzoselenophen-1-yl]anthracen-9-yl]naphtho[2,3-b][1]benzofuran
• SMILES: c1ccc(-c2c3ccccc3c(-c3ccc4c(c3)[se]c3cccc(-c5c6ccccc6c(-c6ccc7oc8cc9ccccc9cc8c7c6)c6ccccc56)c34)c3ccccc23)cc1
• InChI: InChI=1S/C62H36OSe/c1-2-15-37(16-3-1)58-42-19-6-8-21-44(42)60(45-22-9-7-20-43(45)58)41-29-31-50-57(36-41)64-56-28-14-27-51(62(50)56)61-48-25-12-10-23-46(48)59(47-24-11-13-26-49(47)61)40-30-32-54-52(34-40)53-33-38-17-4-5-18-39(38)35-55(53)63-54/h1-36H
• InChIKey: BWFAYQPKJQSLPX-UHFFFAOYSA-N
• XLogP: 17.38
• TPSA: 13.14 Ų
• H-Bond Acceptors: 1
• Rotatable Bonds: 4
• Heavy Atoms: 64
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	875.93
LogP ≤ 5	17.38
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	1

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-[10-[7-(10-phenylanthracen-9-yl)dibenzoselenophen-1-yl]anthracen-9-yl]naphtho[2,3-b][1]benzofuran?

The IUPAC name of 2-[10-[7-(10-phenylanthracen-9-yl)dibenzoselenophen-1-yl]anthracen-9-yl]naphtho[2,3-b][1]benzofuran (CID 160746468) is 2-[10-[7-(10-phenylanthracen-9-yl)dibenzoselenophen-1-yl]anthracen-9-yl]naphtho[2,3-b][1]benzofuran.

What is the SMILES notation for 2-[10-[7-(10-phenylanthracen-9-yl)dibenzoselenophen-1-yl]anthracen-9-yl]naphtho[2,3-b][1]benzofuran?

The canonical SMILES for 2-[10-[7-(10-phenylanthracen-9-yl)dibenzoselenophen-1-yl]anthracen-9-yl]naphtho[2,3-b][1]benzofuran is c1ccc(-c2c3ccccc3c(-c3ccc4c(c3)[se]c3cccc(-c5c6ccccc6c(-c6ccc7oc8cc9ccccc9cc8c7c6)c6ccccc56)c34)c3ccccc23)cc1.

What is the InChIKey of 2-[10-[7-(10-phenylanthracen-9-yl)dibenzoselenophen-1-yl]anthracen-9-yl]naphtho[2,3-b][1]benzofuran?

The InChIKey is BWFAYQPKJQSLPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C62H36OSe/c1-2-15-37(16-3-1)58-42-19-6-8-21-44(42)60(45-22-9-7-20-43(45)58)41-29-31-50-57(36-41)64-56-28-14-27-51(62(50)56)61-48-25-12-10-23-46(48)59(47-24-11-13-26-49(47)61)40-30-32-54-52(34-40)53-33-38-17-4-5-18-39(38)35-55(53)63-54/h1-36H.

What are the key properties of 2-[10-[7-(10-phenylanthracen-9-yl)dibenzoselenophen-1-yl]anthracen-9-yl]naphtho[2,3-b][1]benzofuran?

2-[10-[7-(10-phenylanthracen-9-yl)dibenzoselenophen-1-yl]anthracen-9-yl]naphtho[2,3-b][1]benzofuran has a molecular weight of 875.93 g/mol, XLogP of 17.38, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[10-[7-(10-phenylanthracen-9-yl)dibenzoselenophen-1-yl]anthracen-9-yl]naphtho[2,3-b][1]benzofuran is sourced from PubChem (CID 160746468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).