6-[4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-triphenylen-1-ylphenyl]phenyl]pyrido[4,3-c][1,5]naphthyridine

C56H34N6 — CID 129201172

About 6-[4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-triphenylen-1-ylphenyl]phenyl]pyrido[4,3-c][1,5]naphthyridine

6-[4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-triphenylen-1-ylphenyl]phenyl]pyrido[4,3-c][1,5]naphthyridine (PubChem CID 129201172) has the molecular formula C56H34N6 and a molecular weight of 790.93 g/mol. Its IUPAC name is 6-[4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-triphenylen-1-ylphenyl]phenyl]pyrido[4,3-c][1,5]naphthyridine.

Molecular Properties

• Compound Name: 6-[4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-triphenylen-1-ylphenyl]phenyl]pyrido[4,3-c][1,5]naphthyridine
• PubChem CID: 129201172
• Molecular Formula: C56H34N6
• Molecular Weight: 790.93 g/mol
• Exact Mass: 790.28
• IUPAC Name: 6-[4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-triphenylen-1-ylphenyl]phenyl]pyrido[4,3-c][1,5]naphthyridine
• SMILES: c1ccc(-c2nc(-c3ccccc3)nc(-c3cc(-c4ccc(-c5nc6cccnc6c6cnccc56)cc4)cc(-c4cccc5c6ccccc6c6ccccc6c45)c3)n2)cc1
• InChI: InChI=1S/C56H34N6/c1-3-13-37(14-4-1)54-60-55(38-15-5-2-6-16-38)62-56(61-54)41-32-39(35-24-26-36(27-25-35)52-48-28-30-57-34-49(48)53-50(59-52)23-12-29-58-53)31-40(33-41)42-21-11-22-47-45-18-8-7-17-43(45)44-19-9-10-20-46(44)51(42)47/h1-34H
• InChIKey: RXIKNHXERGZXEU-UHFFFAOYSA-N
• XLogP: 13.82
• TPSA: 77.34 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 62
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	790.93
LogP ≤ 5	13.82
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 6-[4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-triphenylen-1-ylphenyl]phenyl]pyrido[4,3-c][1,5]naphthyridine?

The IUPAC name of 6-[4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-triphenylen-1-ylphenyl]phenyl]pyrido[4,3-c][1,5]naphthyridine (CID 129201172) is 6-[4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-triphenylen-1-ylphenyl]phenyl]pyrido[4,3-c][1,5]naphthyridine.

What is the SMILES notation for 6-[4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-triphenylen-1-ylphenyl]phenyl]pyrido[4,3-c][1,5]naphthyridine?

The canonical SMILES for 6-[4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-triphenylen-1-ylphenyl]phenyl]pyrido[4,3-c][1,5]naphthyridine is c1ccc(-c2nc(-c3ccccc3)nc(-c3cc(-c4ccc(-c5nc6cccnc6c6cnccc56)cc4)cc(-c4cccc5c6ccccc6c6ccccc6c45)c3)n2)cc1.

What is the InChIKey of 6-[4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-triphenylen-1-ylphenyl]phenyl]pyrido[4,3-c][1,5]naphthyridine?

The InChIKey is RXIKNHXERGZXEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H34N6/c1-3-13-37(14-4-1)54-60-55(38-15-5-2-6-16-38)62-56(61-54)41-32-39(35-24-26-36(27-25-35)52-48-28-30-57-34-49(48)53-50(59-52)23-12-29-58-53)31-40(33-41)42-21-11-22-47-45-18-8-7-17-43(45)44-19-9-10-20-46(44)51(42)47/h1-34H.

What are the key properties of 6-[4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-triphenylen-1-ylphenyl]phenyl]pyrido[4,3-c][1,5]naphthyridine?

6-[4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-triphenylen-1-ylphenyl]phenyl]pyrido[4,3-c][1,5]naphthyridine has a molecular weight of 790.93 g/mol, XLogP of 13.82, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-triphenylen-1-ylphenyl]phenyl]pyrido[4,3-c][1,5]naphthyridine is sourced from PubChem (CID 129201172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).