9-[10-[4-(2-triphenylen-2-ylphenyl)phenyl]anthracen-9-yl]naphtho[1,2-b][1]benzofuran

C60H36O — CID 174273669

About 9-[10-[4-(2-triphenylen-2-ylphenyl)phenyl]anthracen-9-yl]naphtho[1,2-b][1]benzofuran

9-[10-[4-(2-triphenylen-2-ylphenyl)phenyl]anthracen-9-yl]naphtho[1,2-b][1]benzofuran (PubChem CID 174273669) has the molecular formula C60H36O and a molecular weight of 772.95 g/mol. Its IUPAC name is 9-[10-[4-(2-triphenylen-2-ylphenyl)phenyl]anthracen-9-yl]naphtho[1,2-b][1]benzofuran.

Molecular Properties

• Compound Name: 9-[10-[4-(2-triphenylen-2-ylphenyl)phenyl]anthracen-9-yl]naphtho[1,2-b][1]benzofuran
• PubChem CID: 174273669
• Molecular Formula: C60H36O
• Molecular Weight: 772.95 g/mol
• Exact Mass: 772.28
• IUPAC Name: 9-[10-[4-(2-triphenylen-2-ylphenyl)phenyl]anthracen-9-yl]naphtho[1,2-b][1]benzofuran
• SMILES: c1ccc(-c2ccc3c4ccccc4c4ccccc4c3c2)c(-c2ccc(-c3c4ccccc4c(-c4ccc5c(c4)oc4c6ccccc6ccc54)c4ccccc34)cc2)c1
• InChI: InChI=1S/C60H36O/c1-2-16-44-37(13-1)29-34-55-50-33-31-41(36-57(50)61-60(44)55)59-53-23-11-9-21-51(53)58(52-22-10-12-24-54(52)59)39-27-25-38(26-28-39)42-14-3-4-15-43(42)40-30-32-49-47-19-6-5-17-45(47)46-18-7-8-20-48(46)56(49)35-40/h1-36H
• InChIKey: GETWEUSGOOVWRK-UHFFFAOYSA-N
• XLogP: 17.17
• TPSA: 13.14 Ų
• H-Bond Acceptors: 1
• Rotatable Bonds: 4
• Heavy Atoms: 61
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	772.95
LogP ≤ 5	17.17
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	1

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 9-[10-[4-(2-triphenylen-2-ylphenyl)phenyl]anthracen-9-yl]naphtho[1,2-b][1]benzofuran?

The IUPAC name of 9-[10-[4-(2-triphenylen-2-ylphenyl)phenyl]anthracen-9-yl]naphtho[1,2-b][1]benzofuran (CID 174273669) is 9-[10-[4-(2-triphenylen-2-ylphenyl)phenyl]anthracen-9-yl]naphtho[1,2-b][1]benzofuran.

What is the SMILES notation for 9-[10-[4-(2-triphenylen-2-ylphenyl)phenyl]anthracen-9-yl]naphtho[1,2-b][1]benzofuran?

The canonical SMILES for 9-[10-[4-(2-triphenylen-2-ylphenyl)phenyl]anthracen-9-yl]naphtho[1,2-b][1]benzofuran is c1ccc(-c2ccc3c4ccccc4c4ccccc4c3c2)c(-c2ccc(-c3c4ccccc4c(-c4ccc5c(c4)oc4c6ccccc6ccc54)c4ccccc34)cc2)c1.

What is the InChIKey of 9-[10-[4-(2-triphenylen-2-ylphenyl)phenyl]anthracen-9-yl]naphtho[1,2-b][1]benzofuran?

The InChIKey is GETWEUSGOOVWRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H36O/c1-2-16-44-37(13-1)29-34-55-50-33-31-41(36-57(50)61-60(44)55)59-53-23-11-9-21-51(53)58(52-22-10-12-24-54(52)59)39-27-25-38(26-28-39)42-14-3-4-15-43(42)40-30-32-49-47-19-6-5-17-45(47)46-18-7-8-20-48(46)56(49)35-40/h1-36H.

What are the key properties of 9-[10-[4-(2-triphenylen-2-ylphenyl)phenyl]anthracen-9-yl]naphtho[1,2-b][1]benzofuran?

9-[10-[4-(2-triphenylen-2-ylphenyl)phenyl]anthracen-9-yl]naphtho[1,2-b][1]benzofuran has a molecular weight of 772.95 g/mol, XLogP of 17.17, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.

Where does this data come from?

All data for 9-[10-[4-(2-triphenylen-2-ylphenyl)phenyl]anthracen-9-yl]naphtho[1,2-b][1]benzofuran is sourced from PubChem (CID 174273669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).