2-phenyl-4-(3-phenylphenyl)-6-[3-[10-[2-(4-phenylphenyl)phenyl]anthracen-9-yl]phenyl]-1,3,5-triazine

C59H39N3 — CID 147995292

About 2-phenyl-4-(3-phenylphenyl)-6-[3-[10-[2-(4-phenylphenyl)phenyl]anthracen-9-yl]phenyl]-1,3,5-triazine

2-phenyl-4-(3-phenylphenyl)-6-[3-[10-[2-(4-phenylphenyl)phenyl]anthracen-9-yl]phenyl]-1,3,5-triazine (PubChem CID 147995292) has the molecular formula C59H39N3 and a molecular weight of 789.98 g/mol. Its IUPAC name is 2-phenyl-4-(3-phenylphenyl)-6-[3-[10-[2-(4-phenylphenyl)phenyl]anthracen-9-yl]phenyl]-1,3,5-triazine.

Molecular Properties

• Compound Name: 2-phenyl-4-(3-phenylphenyl)-6-[3-[10-[2-(4-phenylphenyl)phenyl]anthracen-9-yl]phenyl]-1,3,5-triazine
• PubChem CID: 147995292
• Molecular Formula: C59H39N3
• Molecular Weight: 789.98 g/mol
• Exact Mass: 789.31
• IUPAC Name: 2-phenyl-4-(3-phenylphenyl)-6-[3-[10-[2-(4-phenylphenyl)phenyl]anthracen-9-yl]phenyl]-1,3,5-triazine
• SMILES: c1ccc(-c2ccc(-c3ccccc3-c3c4ccccc4c(-c4cccc(-c5nc(-c6ccccc6)nc(-c6cccc(-c7ccccc7)c6)n5)c4)c4ccccc34)cc2)cc1
• InChI: InChI=1S/C59H39N3/c1-4-18-40(19-5-1)42-34-36-43(37-35-42)49-28-10-11-29-50(49)56-53-32-14-12-30-51(53)55(52-31-13-15-33-54(52)56)46-25-17-27-48(39-46)59-61-57(44-22-8-3-9-23-44)60-58(62-59)47-26-16-24-45(38-47)41-20-6-2-7-21-41/h1-39H
• InChIKey: IVWLWBBADQFNSF-UHFFFAOYSA-N
• XLogP: 15.51
• TPSA: 38.67 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 8
• Heavy Atoms: 62
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	789.98
LogP ≤ 5	15.51
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-phenyl-4-(3-phenylphenyl)-6-[3-[10-[2-(4-phenylphenyl)phenyl]anthracen-9-yl]phenyl]-1,3,5-triazine?

The IUPAC name of 2-phenyl-4-(3-phenylphenyl)-6-[3-[10-[2-(4-phenylphenyl)phenyl]anthracen-9-yl]phenyl]-1,3,5-triazine (CID 147995292) is 2-phenyl-4-(3-phenylphenyl)-6-[3-[10-[2-(4-phenylphenyl)phenyl]anthracen-9-yl]phenyl]-1,3,5-triazine.

What is the SMILES notation for 2-phenyl-4-(3-phenylphenyl)-6-[3-[10-[2-(4-phenylphenyl)phenyl]anthracen-9-yl]phenyl]-1,3,5-triazine?

The canonical SMILES for 2-phenyl-4-(3-phenylphenyl)-6-[3-[10-[2-(4-phenylphenyl)phenyl]anthracen-9-yl]phenyl]-1,3,5-triazine is c1ccc(-c2ccc(-c3ccccc3-c3c4ccccc4c(-c4cccc(-c5nc(-c6ccccc6)nc(-c6cccc(-c7ccccc7)c6)n5)c4)c4ccccc34)cc2)cc1.

What is the InChIKey of 2-phenyl-4-(3-phenylphenyl)-6-[3-[10-[2-(4-phenylphenyl)phenyl]anthracen-9-yl]phenyl]-1,3,5-triazine?

The InChIKey is IVWLWBBADQFNSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C59H39N3/c1-4-18-40(19-5-1)42-34-36-43(37-35-42)49-28-10-11-29-50(49)56-53-32-14-12-30-51(53)55(52-31-13-15-33-54(52)56)46-25-17-27-48(39-46)59-61-57(44-22-8-3-9-23-44)60-58(62-59)47-26-16-24-45(38-47)41-20-6-2-7-21-41/h1-39H.

What are the key properties of 2-phenyl-4-(3-phenylphenyl)-6-[3-[10-[2-(4-phenylphenyl)phenyl]anthracen-9-yl]phenyl]-1,3,5-triazine?

2-phenyl-4-(3-phenylphenyl)-6-[3-[10-[2-(4-phenylphenyl)phenyl]anthracen-9-yl]phenyl]-1,3,5-triazine has a molecular weight of 789.98 g/mol, XLogP of 15.51, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 2-phenyl-4-(3-phenylphenyl)-6-[3-[10-[2-(4-phenylphenyl)phenyl]anthracen-9-yl]phenyl]-1,3,5-triazine is sourced from PubChem (CID 147995292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).