2,4-diphenyl-6-[3-[1-(4-triphenylen-2-ylphenyl)naphthalen-2-yl]phenyl]pyrimidine

C56H36N2 — CID 155416651

About 2,4-diphenyl-6-[3-[1-(4-triphenylen-2-ylphenyl)naphthalen-2-yl]phenyl]pyrimidine

2,4-diphenyl-6-[3-[1-(4-triphenylen-2-ylphenyl)naphthalen-2-yl]phenyl]pyrimidine (PubChem CID 155416651) has the molecular formula C56H36N2 and a molecular weight of 736.92 g/mol. Its IUPAC name is 2,4-diphenyl-6-[3-[1-(4-triphenylen-2-ylphenyl)naphthalen-2-yl]phenyl]pyrimidine.

Molecular Properties

• Compound Name: 2,4-diphenyl-6-[3-[1-(4-triphenylen-2-ylphenyl)naphthalen-2-yl]phenyl]pyrimidine
• PubChem CID: 155416651
• Molecular Formula: C56H36N2
• Molecular Weight: 736.92 g/mol
• Exact Mass: 736.29
• IUPAC Name: 2,4-diphenyl-6-[3-[1-(4-triphenylen-2-ylphenyl)naphthalen-2-yl]phenyl]pyrimidine
• SMILES: c1ccc(-c2cc(-c3cccc(-c4ccc5ccccc5c4-c4ccc(-c5ccc6c7ccccc7c7ccccc7c6c5)cc4)c3)nc(-c3ccccc3)n2)cc1
• InChI: InChI=1S/C56H36N2/c1-3-15-39(16-4-1)53-36-54(58-56(57-53)41-17-5-2-6-18-41)44-20-13-19-43(34-44)46-32-30-38-14-7-8-21-45(38)55(46)40-28-26-37(27-29-40)42-31-33-51-49-24-10-9-22-47(49)48-23-11-12-25-50(48)52(51)35-42/h1-36H
• InChIKey: VKWXOTQOHFDTOJ-UHFFFAOYSA-N
• XLogP: 15.09
• TPSA: 25.78 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 6
• Heavy Atoms: 58
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	736.92
LogP ≤ 5	15.09
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2,4-diphenyl-6-[3-[1-(4-triphenylen-2-ylphenyl)naphthalen-2-yl]phenyl]pyrimidine?

The IUPAC name of 2,4-diphenyl-6-[3-[1-(4-triphenylen-2-ylphenyl)naphthalen-2-yl]phenyl]pyrimidine (CID 155416651) is 2,4-diphenyl-6-[3-[1-(4-triphenylen-2-ylphenyl)naphthalen-2-yl]phenyl]pyrimidine.

What is the SMILES notation for 2,4-diphenyl-6-[3-[1-(4-triphenylen-2-ylphenyl)naphthalen-2-yl]phenyl]pyrimidine?

The canonical SMILES for 2,4-diphenyl-6-[3-[1-(4-triphenylen-2-ylphenyl)naphthalen-2-yl]phenyl]pyrimidine is c1ccc(-c2cc(-c3cccc(-c4ccc5ccccc5c4-c4ccc(-c5ccc6c7ccccc7c7ccccc7c6c5)cc4)c3)nc(-c3ccccc3)n2)cc1.

What is the InChIKey of 2,4-diphenyl-6-[3-[1-(4-triphenylen-2-ylphenyl)naphthalen-2-yl]phenyl]pyrimidine?

The InChIKey is VKWXOTQOHFDTOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H36N2/c1-3-15-39(16-4-1)53-36-54(58-56(57-53)41-17-5-2-6-18-41)44-20-13-19-43(34-44)46-32-30-38-14-7-8-21-45(38)55(46)40-28-26-37(27-29-40)42-31-33-51-49-24-10-9-22-47(49)48-23-11-12-25-50(48)52(51)35-42/h1-36H.

What are the key properties of 2,4-diphenyl-6-[3-[1-(4-triphenylen-2-ylphenyl)naphthalen-2-yl]phenyl]pyrimidine?

2,4-diphenyl-6-[3-[1-(4-triphenylen-2-ylphenyl)naphthalen-2-yl]phenyl]pyrimidine has a molecular weight of 736.92 g/mol, XLogP of 15.09, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 2,4-diphenyl-6-[3-[1-(4-triphenylen-2-ylphenyl)naphthalen-2-yl]phenyl]pyrimidine is sourced from PubChem (CID 155416651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).