2,4-diphenyl-6-[3-(7-triphenylen-2-ylnaphtho[1,2-b][1]benzofuran-5-yl)phenyl]pyrimidine

C56H34N2O — CID 164835316

About 2,4-diphenyl-6-[3-(7-triphenylen-2-ylnaphtho[1,2-b][1]benzofuran-5-yl)phenyl]pyrimidine

2,4-diphenyl-6-[3-(7-triphenylen-2-ylnaphtho[1,2-b][1]benzofuran-5-yl)phenyl]pyrimidine (PubChem CID 164835316) has the molecular formula C56H34N2O and a molecular weight of 750.90 g/mol. Its IUPAC name is 2,4-diphenyl-6-[3-(7-triphenylen-2-ylnaphtho[1,2-b][1]benzofuran-5-yl)phenyl]pyrimidine.

Molecular Properties

• Compound Name: 2,4-diphenyl-6-[3-(7-triphenylen-2-ylnaphtho[1,2-b][1]benzofuran-5-yl)phenyl]pyrimidine
• PubChem CID: 164835316
• Molecular Formula: C56H34N2O
• Molecular Weight: 750.90 g/mol
• Exact Mass: 750.27
• IUPAC Name: 2,4-diphenyl-6-[3-(7-triphenylen-2-ylnaphtho[1,2-b][1]benzofuran-5-yl)phenyl]pyrimidine
• SMILES: c1ccc(-c2cc(-c3cccc(-c4cc5c(oc6cccc(-c7ccc8c9ccccc9c9ccccc9c8c7)c65)c5ccccc45)c3)nc(-c3ccccc3)n2)cc1
• InChI: InChI=1S/C56H34N2O/c1-3-15-35(16-4-1)51-34-52(58-56(57-51)36-17-5-2-6-18-36)39-20-13-19-37(31-39)48-33-50-54-40(27-14-28-53(54)59-55(50)47-26-12-11-25-45(47)48)38-29-30-46-43-23-8-7-21-41(43)42-22-9-10-24-44(42)49(46)32-38/h1-34H
• InChIKey: LZVIJJJGGJSQBI-UHFFFAOYSA-N
• XLogP: 15.32
• TPSA: 38.92 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 5
• Heavy Atoms: 59
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	750.90
LogP ≤ 5	15.32
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 2,4-diphenyl-6-[3-(7-triphenylen-2-ylnaphtho[1,2-b][1]benzofuran-5-yl)phenyl]pyrimidine?

The IUPAC name of 2,4-diphenyl-6-[3-(7-triphenylen-2-ylnaphtho[1,2-b][1]benzofuran-5-yl)phenyl]pyrimidine (CID 164835316) is 2,4-diphenyl-6-[3-(7-triphenylen-2-ylnaphtho[1,2-b][1]benzofuran-5-yl)phenyl]pyrimidine.

What is the SMILES notation for 2,4-diphenyl-6-[3-(7-triphenylen-2-ylnaphtho[1,2-b][1]benzofuran-5-yl)phenyl]pyrimidine?

The canonical SMILES for 2,4-diphenyl-6-[3-(7-triphenylen-2-ylnaphtho[1,2-b][1]benzofuran-5-yl)phenyl]pyrimidine is c1ccc(-c2cc(-c3cccc(-c4cc5c(oc6cccc(-c7ccc8c9ccccc9c9ccccc9c8c7)c65)c5ccccc45)c3)nc(-c3ccccc3)n2)cc1.

What is the InChIKey of 2,4-diphenyl-6-[3-(7-triphenylen-2-ylnaphtho[1,2-b][1]benzofuran-5-yl)phenyl]pyrimidine?

The InChIKey is LZVIJJJGGJSQBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H34N2O/c1-3-15-35(16-4-1)51-34-52(58-56(57-51)36-17-5-2-6-18-36)39-20-13-19-37(31-39)48-33-50-54-40(27-14-28-53(54)59-55(50)47-26-12-11-25-45(47)48)38-29-30-46-43-23-8-7-21-41(43)42-22-9-10-24-44(42)49(46)32-38/h1-34H.

What are the key properties of 2,4-diphenyl-6-[3-(7-triphenylen-2-ylnaphtho[1,2-b][1]benzofuran-5-yl)phenyl]pyrimidine?

2,4-diphenyl-6-[3-(7-triphenylen-2-ylnaphtho[1,2-b][1]benzofuran-5-yl)phenyl]pyrimidine has a molecular weight of 750.90 g/mol, XLogP of 15.32, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 2,4-diphenyl-6-[3-(7-triphenylen-2-ylnaphtho[1,2-b][1]benzofuran-5-yl)phenyl]pyrimidine is sourced from PubChem (CID 164835316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).