2-(10-diphenylphosphorylanthracen-9-yl)-4,6-dinaphthalen-2-yl-1,3,5-triazine

C49H32N3OP — CID 58233332

About 2-(10-diphenylphosphorylanthracen-9-yl)-4,6-dinaphthalen-2-yl-1,3,5-triazine

2-(10-diphenylphosphorylanthracen-9-yl)-4,6-dinaphthalen-2-yl-1,3,5-triazine (PubChem CID 58233332) has the molecular formula C49H32N3OP and a molecular weight of 709.79 g/mol. Its IUPAC name is 2-(10-diphenylphosphorylanthracen-9-yl)-4,6-dinaphthalen-2-yl-1,3,5-triazine.

Molecular Properties

• Compound Name: 2-(10-diphenylphosphorylanthracen-9-yl)-4,6-dinaphthalen-2-yl-1,3,5-triazine
• PubChem CID: 58233332
• Molecular Formula: C49H32N3OP
• Molecular Weight: 709.79 g/mol
• Exact Mass: 709.23
• IUPAC Name: 2-(10-diphenylphosphorylanthracen-9-yl)-4,6-dinaphthalen-2-yl-1,3,5-triazine
• SMILES: O=P(c1ccccc1)(c1ccccc1)c1c2ccccc2c(-c2nc(-c3ccc4ccccc4c3)nc(-c3ccc4ccccc4c3)n2)c2ccccc12
• InChI: InChI=1S/C49H32N3OP/c53-54(39-19-3-1-4-20-39,40-21-5-2-6-22-40)46-43-25-13-11-23-41(43)45(42-24-12-14-26-44(42)46)49-51-47(37-29-27-33-15-7-9-17-35(33)31-37)50-48(52-49)38-30-28-34-16-8-10-18-36(34)32-38/h1-32H
• InChIKey: LASWNVKVYJJLOG-UHFFFAOYSA-N
• XLogP: 11.12
• TPSA: 55.74 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 6
• Heavy Atoms: 54
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	709.79
LogP ≤ 5	11.12
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-(10-diphenylphosphorylanthracen-9-yl)-4,6-dinaphthalen-2-yl-1,3,5-triazine?

The IUPAC name of 2-(10-diphenylphosphorylanthracen-9-yl)-4,6-dinaphthalen-2-yl-1,3,5-triazine (CID 58233332) is 2-(10-diphenylphosphorylanthracen-9-yl)-4,6-dinaphthalen-2-yl-1,3,5-triazine.

What is the SMILES notation for 2-(10-diphenylphosphorylanthracen-9-yl)-4,6-dinaphthalen-2-yl-1,3,5-triazine?

The canonical SMILES for 2-(10-diphenylphosphorylanthracen-9-yl)-4,6-dinaphthalen-2-yl-1,3,5-triazine is O=P(c1ccccc1)(c1ccccc1)c1c2ccccc2c(-c2nc(-c3ccc4ccccc4c3)nc(-c3ccc4ccccc4c3)n2)c2ccccc12.

What is the InChIKey of 2-(10-diphenylphosphorylanthracen-9-yl)-4,6-dinaphthalen-2-yl-1,3,5-triazine?

The InChIKey is LASWNVKVYJJLOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H32N3OP/c53-54(39-19-3-1-4-20-39,40-21-5-2-6-22-40)46-43-25-13-11-23-41(43)45(42-24-12-14-26-44(42)46)49-51-47(37-29-27-33-15-7-9-17-35(33)31-37)50-48(52-49)38-30-28-34-16-8-10-18-36(34)32-38/h1-32H.

What are the key properties of 2-(10-diphenylphosphorylanthracen-9-yl)-4,6-dinaphthalen-2-yl-1,3,5-triazine?

2-(10-diphenylphosphorylanthracen-9-yl)-4,6-dinaphthalen-2-yl-1,3,5-triazine has a molecular weight of 709.79 g/mol, XLogP of 11.12, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(10-diphenylphosphorylanthracen-9-yl)-4,6-dinaphthalen-2-yl-1,3,5-triazine is sourced from PubChem (CID 58233332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).