6-naphthalen-2-yl-1-[10-(2-triphenylen-2-ylphenyl)anthracen-9-yl]dibenzofuran

C60H36O — CID 155454144

About 6-naphthalen-2-yl-1-[10-(2-triphenylen-2-ylphenyl)anthracen-9-yl]dibenzofuran

6-naphthalen-2-yl-1-[10-(2-triphenylen-2-ylphenyl)anthracen-9-yl]dibenzofuran (PubChem CID 155454144) has the molecular formula C60H36O and a molecular weight of 772.95 g/mol. Its IUPAC name is 6-naphthalen-2-yl-1-[10-(2-triphenylen-2-ylphenyl)anthracen-9-yl]dibenzofuran.

Molecular Properties

• Compound Name: 6-naphthalen-2-yl-1-[10-(2-triphenylen-2-ylphenyl)anthracen-9-yl]dibenzofuran
• PubChem CID: 155454144
• Molecular Formula: C60H36O
• Molecular Weight: 772.95 g/mol
• Exact Mass: 772.28
• IUPAC Name: 6-naphthalen-2-yl-1-[10-(2-triphenylen-2-ylphenyl)anthracen-9-yl]dibenzofuran
• SMILES: c1ccc(-c2c3ccccc3c(-c3cccc4oc5c(-c6ccc7ccccc7c6)cccc5c34)c3ccccc23)c(-c2ccc3c4ccccc4c4ccccc4c3c2)c1
• InChI: InChI=1S/C60H36O/c1-2-16-38-35-39(32-31-37(38)15-1)42-27-13-29-54-59-53(28-14-30-56(59)61-60(42)54)58-51-25-11-9-23-49(51)57(50-24-10-12-26-52(50)58)48-22-8-3-17-41(48)40-33-34-47-45-20-5-4-18-43(45)44-19-6-7-21-46(44)55(47)36-40/h1-36H
• InChIKey: RMOCHEOKISKZTP-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 6-naphthalen-2-yl-1-[10-(2-triphenylen-2-ylphenyl)anthracen-9-yl]dibenzofuran?

The IUPAC name of 6-naphthalen-2-yl-1-[10-(2-triphenylen-2-ylphenyl)anthracen-9-yl]dibenzofuran (CID 155454144) is 6-naphthalen-2-yl-1-[10-(2-triphenylen-2-ylphenyl)anthracen-9-yl]dibenzofuran.

What is the SMILES notation for 6-naphthalen-2-yl-1-[10-(2-triphenylen-2-ylphenyl)anthracen-9-yl]dibenzofuran?

The canonical SMILES for 6-naphthalen-2-yl-1-[10-(2-triphenylen-2-ylphenyl)anthracen-9-yl]dibenzofuran is c1ccc(-c2c3ccccc3c(-c3cccc4oc5c(-c6ccc7ccccc7c6)cccc5c34)c3ccccc23)c(-c2ccc3c4ccccc4c4ccccc4c3c2)c1.

What is the InChIKey of 6-naphthalen-2-yl-1-[10-(2-triphenylen-2-ylphenyl)anthracen-9-yl]dibenzofuran?

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

What are the key properties of 6-naphthalen-2-yl-1-[10-(2-triphenylen-2-ylphenyl)anthracen-9-yl]dibenzofuran?

6-naphthalen-2-yl-1-[10-(2-triphenylen-2-ylphenyl)anthracen-9-yl]dibenzofuran 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 6-naphthalen-2-yl-1-[10-(2-triphenylen-2-ylphenyl)anthracen-9-yl]dibenzofuran is sourced from PubChem (CID 155454144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).