2-(3-phenylphenyl)-4-(2-triphenylen-2-ylphenyl)-1,3,5-triazine

C39H25N3 — CID 137389366

About 2-(3-phenylphenyl)-4-(2-triphenylen-2-ylphenyl)-1,3,5-triazine

2-(3-phenylphenyl)-4-(2-triphenylen-2-ylphenyl)-1,3,5-triazine (PubChem CID 137389366) has the molecular formula C39H25N3 and a molecular weight of 535.65 g/mol. Its IUPAC name is 2-(3-phenylphenyl)-4-(2-triphenylen-2-ylphenyl)-1,3,5-triazine.

Molecular Properties

• Compound Name: 2-(3-phenylphenyl)-4-(2-triphenylen-2-ylphenyl)-1,3,5-triazine
• PubChem CID: 137389366
• Molecular Formula: C39H25N3
• Molecular Weight: 535.65 g/mol
• Exact Mass: 535.20
• IUPAC Name: 2-(3-phenylphenyl)-4-(2-triphenylen-2-ylphenyl)-1,3,5-triazine
• SMILES: c1ccc(-c2cccc(-c3ncnc(-c4ccccc4-c4ccc5c6ccccc6c6ccccc6c5c4)n3)c2)cc1
• InChI: InChI=1S/C39H25N3/c1-2-11-26(12-3-1)27-13-10-14-29(23-27)38-40-25-41-39(42-38)36-20-9-4-15-30(36)28-21-22-35-33-18-6-5-16-31(33)32-17-7-8-19-34(32)37(35)24-28/h1-25H
• InChIKey: RQNIBTSOVGZPPU-UHFFFAOYSA-N
• XLogP: 10.00
• TPSA: 38.67 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 4
• Heavy Atoms: 42
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	535.65
LogP ≤ 5	10.00
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-(3-phenylphenyl)-4-(2-triphenylen-2-ylphenyl)-1,3,5-triazine?

The IUPAC name of 2-(3-phenylphenyl)-4-(2-triphenylen-2-ylphenyl)-1,3,5-triazine (CID 137389366) is 2-(3-phenylphenyl)-4-(2-triphenylen-2-ylphenyl)-1,3,5-triazine.

What is the SMILES notation for 2-(3-phenylphenyl)-4-(2-triphenylen-2-ylphenyl)-1,3,5-triazine?

The canonical SMILES for 2-(3-phenylphenyl)-4-(2-triphenylen-2-ylphenyl)-1,3,5-triazine is c1ccc(-c2cccc(-c3ncnc(-c4ccccc4-c4ccc5c6ccccc6c6ccccc6c5c4)n3)c2)cc1.

What is the InChIKey of 2-(3-phenylphenyl)-4-(2-triphenylen-2-ylphenyl)-1,3,5-triazine?

The InChIKey is RQNIBTSOVGZPPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H25N3/c1-2-11-26(12-3-1)27-13-10-14-29(23-27)38-40-25-41-39(42-38)36-20-9-4-15-30(36)28-21-22-35-33-18-6-5-16-31(33)32-17-7-8-19-34(32)37(35)24-28/h1-25H.

What are the key properties of 2-(3-phenylphenyl)-4-(2-triphenylen-2-ylphenyl)-1,3,5-triazine?

2-(3-phenylphenyl)-4-(2-triphenylen-2-ylphenyl)-1,3,5-triazine has a molecular weight of 535.65 g/mol, XLogP of 10.00, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(3-phenylphenyl)-4-(2-triphenylen-2-ylphenyl)-1,3,5-triazine is sourced from PubChem (CID 137389366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).