2-[4-[6-(4-diphenylphosphorylphenyl)naphthalen-2-yl]phenyl]-4,6-diphenyl-1,3,5-triazine

C49H34N3OP — CID 140901948

About 2-[4-[6-(4-diphenylphosphorylphenyl)naphthalen-2-yl]phenyl]-4,6-diphenyl-1,3,5-triazine

2-[4-[6-(4-diphenylphosphorylphenyl)naphthalen-2-yl]phenyl]-4,6-diphenyl-1,3,5-triazine (PubChem CID 140901948) has the molecular formula C49H34N3OP and a molecular weight of 711.81 g/mol. Its IUPAC name is 2-[4-[6-(4-diphenylphosphorylphenyl)naphthalen-2-yl]phenyl]-4,6-diphenyl-1,3,5-triazine.

Molecular Properties

• Compound Name: 2-[4-[6-(4-diphenylphosphorylphenyl)naphthalen-2-yl]phenyl]-4,6-diphenyl-1,3,5-triazine
• PubChem CID: 140901948
• Molecular Formula: C49H34N3OP
• Molecular Weight: 711.81 g/mol
• Exact Mass: 711.24
• IUPAC Name: 2-[4-[6-(4-diphenylphosphorylphenyl)naphthalen-2-yl]phenyl]-4,6-diphenyl-1,3,5-triazine
• SMILES: O=P(c1ccccc1)(c1ccccc1)c1ccc(-c2ccc3cc(-c4ccc(-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)cc4)ccc3c2)cc1
• InChI: InChI=1S/C49H34N3OP/c53-54(44-17-9-3-10-18-44,45-19-11-4-12-20-45)46-31-29-36(30-32-46)41-26-28-42-33-40(25-27-43(42)34-41)35-21-23-39(24-22-35)49-51-47(37-13-5-1-6-14-37)50-48(52-49)38-15-7-2-8-16-38/h1-34H
• InChIKey: IRFFPZGVRZNWRZ-UHFFFAOYSA-N
• XLogP: 11.00
• TPSA: 55.74 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 8
• Heavy Atoms: 54
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	711.81
LogP ≤ 5	11.00
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-[4-[6-(4-diphenylphosphorylphenyl)naphthalen-2-yl]phenyl]-4,6-diphenyl-1,3,5-triazine?

The IUPAC name of 2-[4-[6-(4-diphenylphosphorylphenyl)naphthalen-2-yl]phenyl]-4,6-diphenyl-1,3,5-triazine (CID 140901948) is 2-[4-[6-(4-diphenylphosphorylphenyl)naphthalen-2-yl]phenyl]-4,6-diphenyl-1,3,5-triazine.

What is the SMILES notation for 2-[4-[6-(4-diphenylphosphorylphenyl)naphthalen-2-yl]phenyl]-4,6-diphenyl-1,3,5-triazine?

The canonical SMILES for 2-[4-[6-(4-diphenylphosphorylphenyl)naphthalen-2-yl]phenyl]-4,6-diphenyl-1,3,5-triazine is O=P(c1ccccc1)(c1ccccc1)c1ccc(-c2ccc3cc(-c4ccc(-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)cc4)ccc3c2)cc1.

What is the InChIKey of 2-[4-[6-(4-diphenylphosphorylphenyl)naphthalen-2-yl]phenyl]-4,6-diphenyl-1,3,5-triazine?

The InChIKey is IRFFPZGVRZNWRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H34N3OP/c53-54(44-17-9-3-10-18-44,45-19-11-4-12-20-45)46-31-29-36(30-32-46)41-26-28-42-33-40(25-27-43(42)34-41)35-21-23-39(24-22-35)49-51-47(37-13-5-1-6-14-37)50-48(52-49)38-15-7-2-8-16-38/h1-34H.

What are the key properties of 2-[4-[6-(4-diphenylphosphorylphenyl)naphthalen-2-yl]phenyl]-4,6-diphenyl-1,3,5-triazine?

2-[4-[6-(4-diphenylphosphorylphenyl)naphthalen-2-yl]phenyl]-4,6-diphenyl-1,3,5-triazine has a molecular weight of 711.81 g/mol, XLogP of 11.00, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[4-[6-(4-diphenylphosphorylphenyl)naphthalen-2-yl]phenyl]-4,6-diphenyl-1,3,5-triazine is sourced from PubChem (CID 140901948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).