11-[3-[10-(9,9'-spirobi[fluorene]-2-yl)anthracen-9-yl]phenyl]naphtho[2,1-b][1]benzofuran

C61H36O — CID 155205149

About 11-[3-[10-(9,9'-spirobi[fluorene]-2-yl)anthracen-9-yl]phenyl]naphtho[2,1-b][1]benzofuran

11-[3-[10-(9,9'-spirobi[fluorene]-2-yl)anthracen-9-yl]phenyl]naphtho[2,1-b][1]benzofuran (PubChem CID 155205149) has the molecular formula C61H36O and a molecular weight of 784.96 g/mol. Its IUPAC name is 11-[3-[10-(9,9'-spirobi[fluorene]-2-yl)anthracen-9-yl]phenyl]naphtho[2,1-b][1]benzofuran.

Molecular Properties

• Compound Name: 11-[3-[10-(9,9'-spirobi[fluorene]-2-yl)anthracen-9-yl]phenyl]naphtho[2,1-b][1]benzofuran
• PubChem CID: 155205149
• Molecular Formula: C61H36O
• Molecular Weight: 784.96 g/mol
• Exact Mass: 784.28
• IUPAC Name: 11-[3-[10-(9,9'-spirobi[fluorene]-2-yl)anthracen-9-yl]phenyl]naphtho[2,1-b][1]benzofuran
• SMILES: c1cc(-c2c3ccccc3c(-c3ccc4c(c3)C3(c5ccccc5-c5ccccc53)c3ccccc3-4)c3ccccc23)cc(-c2cccc3oc4ccc5ccccc5c4c23)c1
• InChI: InChI=1S/C61H36O/c1-2-18-41-37(15-1)32-34-56-59(41)60-42(26-14-30-55(60)62-56)38-16-13-17-39(35-38)57-47-22-3-5-24-49(47)58(50-25-6-4-23-48(50)57)40-31-33-46-45-21-9-12-29-53(45)61(54(46)36-40)51-27-10-7-19-43(51)44-20-8-11-28-52(44)61/h1-36H
• InChIKey: FCALYZDSTAOGNC-UHFFFAOYSA-N
• XLogP: 16.39
• TPSA: 13.14 Ų
• H-Bond Acceptors: 1
• Rotatable Bonds: 3
• Heavy Atoms: 62
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	784.96
LogP ≤ 5	16.39
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	1

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 11-[3-[10-(9,9'-spirobi[fluorene]-2-yl)anthracen-9-yl]phenyl]naphtho[2,1-b][1]benzofuran?

The IUPAC name of 11-[3-[10-(9,9'-spirobi[fluorene]-2-yl)anthracen-9-yl]phenyl]naphtho[2,1-b][1]benzofuran (CID 155205149) is 11-[3-[10-(9,9'-spirobi[fluorene]-2-yl)anthracen-9-yl]phenyl]naphtho[2,1-b][1]benzofuran.

What is the SMILES notation for 11-[3-[10-(9,9'-spirobi[fluorene]-2-yl)anthracen-9-yl]phenyl]naphtho[2,1-b][1]benzofuran?

The canonical SMILES for 11-[3-[10-(9,9'-spirobi[fluorene]-2-yl)anthracen-9-yl]phenyl]naphtho[2,1-b][1]benzofuran is c1cc(-c2c3ccccc3c(-c3ccc4c(c3)C3(c5ccccc5-c5ccccc53)c3ccccc3-4)c3ccccc23)cc(-c2cccc3oc4ccc5ccccc5c4c23)c1.

What is the InChIKey of 11-[3-[10-(9,9'-spirobi[fluorene]-2-yl)anthracen-9-yl]phenyl]naphtho[2,1-b][1]benzofuran?

The InChIKey is FCALYZDSTAOGNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C61H36O/c1-2-18-41-37(15-1)32-34-56-59(41)60-42(26-14-30-55(60)62-56)38-16-13-17-39(35-38)57-47-22-3-5-24-49(47)58(50-25-6-4-23-48(50)57)40-31-33-46-45-21-9-12-29-53(45)61(54(46)36-40)51-27-10-7-19-43(51)44-20-8-11-28-52(44)61/h1-36H.

What are the key properties of 11-[3-[10-(9,9'-spirobi[fluorene]-2-yl)anthracen-9-yl]phenyl]naphtho[2,1-b][1]benzofuran?

11-[3-[10-(9,9'-spirobi[fluorene]-2-yl)anthracen-9-yl]phenyl]naphtho[2,1-b][1]benzofuran has a molecular weight of 784.96 g/mol, XLogP of 16.39, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.

Where does this data come from?

All data for 11-[3-[10-(9,9'-spirobi[fluorene]-2-yl)anthracen-9-yl]phenyl]naphtho[2,1-b][1]benzofuran is sourced from PubChem (CID 155205149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).