6-[6-(9,10-dinaphthalen-1-ylanthracen-2-yl)naphthalen-2-yl]benzo[f]quinoline

C57H35N — CID 58323733

About 6-[6-(9,10-dinaphthalen-1-ylanthracen-2-yl)naphthalen-2-yl]benzo[f]quinoline

6-[6-(9,10-dinaphthalen-1-ylanthracen-2-yl)naphthalen-2-yl]benzo[f]quinoline (PubChem CID 58323733) has the molecular formula C57H35N and a molecular weight of 733.91 g/mol. Its IUPAC name is 6-[6-(9,10-dinaphthalen-1-ylanthracen-2-yl)naphthalen-2-yl]benzo[f]quinoline.

Molecular Properties

• Compound Name: 6-[6-(9,10-dinaphthalen-1-ylanthracen-2-yl)naphthalen-2-yl]benzo[f]quinoline
• PubChem CID: 58323733
• Molecular Formula: C57H35N
• Molecular Weight: 733.91 g/mol
• Exact Mass: 733.28
• IUPAC Name: 6-[6-(9,10-dinaphthalen-1-ylanthracen-2-yl)naphthalen-2-yl]benzo[f]quinoline
• SMILES: c1ccc2c(-c3c4ccccc4c(-c4cccc5ccccc45)c4cc(-c5ccc6cc(-c7cc8ncccc8c8ccccc78)ccc6c5)ccc34)cccc2c1
• InChI: InChI=1S/C57H35N/c1-3-16-43-36(12-1)14-9-22-48(43)56-50-20-7-8-21-51(50)57(49-23-10-15-37-13-2-4-17-44(37)49)54-34-41(29-30-52(54)56)39-25-26-40-33-42(28-27-38(40)32-39)53-35-55-47(24-11-31-58-55)45-18-5-6-19-46(45)53/h1-35H
• InChIKey: AEHFXYMCTPNGAU-UHFFFAOYSA-N
• XLogP: 15.82
• TPSA: 12.89 Ų
• H-Bond Acceptors: 1
• Rotatable Bonds: 4
• Heavy Atoms: 58
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	733.91
LogP ≤ 5	15.82
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-[6-(9,10-dinaphthalen-1-ylanthracen-2-yl)naphthalen-2-yl]benzo[f]quinoline?

The IUPAC name of 6-[6-(9,10-dinaphthalen-1-ylanthracen-2-yl)naphthalen-2-yl]benzo[f]quinoline (CID 58323733) is 6-[6-(9,10-dinaphthalen-1-ylanthracen-2-yl)naphthalen-2-yl]benzo[f]quinoline.

What is the SMILES notation for 6-[6-(9,10-dinaphthalen-1-ylanthracen-2-yl)naphthalen-2-yl]benzo[f]quinoline?

The canonical SMILES for 6-[6-(9,10-dinaphthalen-1-ylanthracen-2-yl)naphthalen-2-yl]benzo[f]quinoline is c1ccc2c(-c3c4ccccc4c(-c4cccc5ccccc45)c4cc(-c5ccc6cc(-c7cc8ncccc8c8ccccc78)ccc6c5)ccc34)cccc2c1.

What is the InChIKey of 6-[6-(9,10-dinaphthalen-1-ylanthracen-2-yl)naphthalen-2-yl]benzo[f]quinoline?

The InChIKey is AEHFXYMCTPNGAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C57H35N/c1-3-16-43-36(12-1)14-9-22-48(43)56-50-20-7-8-21-51(50)57(49-23-10-15-37-13-2-4-17-44(37)49)54-34-41(29-30-52(54)56)39-25-26-40-33-42(28-27-38(40)32-39)53-35-55-47(24-11-31-58-55)45-18-5-6-19-46(45)53/h1-35H.

What are the key properties of 6-[6-(9,10-dinaphthalen-1-ylanthracen-2-yl)naphthalen-2-yl]benzo[f]quinoline?

6-[6-(9,10-dinaphthalen-1-ylanthracen-2-yl)naphthalen-2-yl]benzo[f]quinoline has a molecular weight of 733.91 g/mol, XLogP of 15.82, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[6-(9,10-dinaphthalen-1-ylanthracen-2-yl)naphthalen-2-yl]benzo[f]quinoline is sourced from PubChem (CID 58323733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).