5-[3-(4-phenyl-6-pyridin-4-yl-1,3,5-triazin-2-yl)-5-pyrido[2,3-g]quinolin-5-ylphenyl]pyrido[2,3-g]quinoline

C44H26N8 — CID 153466277

About 5-[3-(4-phenyl-6-pyridin-4-yl-1,3,5-triazin-2-yl)-5-pyrido[2,3-g]quinolin-5-ylphenyl]pyrido[2,3-g]quinoline

5-[3-(4-phenyl-6-pyridin-4-yl-1,3,5-triazin-2-yl)-5-pyrido[2,3-g]quinolin-5-ylphenyl]pyrido[2,3-g]quinoline (PubChem CID 153466277) has the molecular formula C44H26N8 and a molecular weight of 666.75 g/mol. Its IUPAC name is 5-[3-(4-phenyl-6-pyridin-4-yl-1,3,5-triazin-2-yl)-5-pyrido[2,3-g]quinolin-5-ylphenyl]pyrido[2,3-g]quinoline.

Molecular Properties

• Compound Name: 5-[3-(4-phenyl-6-pyridin-4-yl-1,3,5-triazin-2-yl)-5-pyrido[2,3-g]quinolin-5-ylphenyl]pyrido[2,3-g]quinoline
• PubChem CID: 153466277
• Molecular Formula: C44H26N8
• Molecular Weight: 666.75 g/mol
• Exact Mass: 666.23
• IUPAC Name: 5-[3-(4-phenyl-6-pyridin-4-yl-1,3,5-triazin-2-yl)-5-pyrido[2,3-g]quinolin-5-ylphenyl]pyrido[2,3-g]quinoline
• SMILES: c1ccc(-c2nc(-c3ccncc3)nc(-c3cc(-c4c5cccnc5cc5cccnc45)cc(-c4c5cccnc5cc5cccnc45)c3)n2)cc1
• InChI: InChI=1S/C44H26N8/c1-2-8-27(9-3-1)42-50-43(28-14-20-45-21-15-28)52-44(51-42)33-23-31(38-34-12-6-16-46-36(34)25-29-10-4-18-48-40(29)38)22-32(24-33)39-35-13-7-17-47-37(35)26-30-11-5-19-49-41(30)39/h1-26H
• InChIKey: NPABYCYGRLENFB-UHFFFAOYSA-N
• XLogP: 9.79
• TPSA: 103.12 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 5
• Heavy Atoms: 52
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	666.75
LogP ≤ 5	9.79
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 5-[3-(4-phenyl-6-pyridin-4-yl-1,3,5-triazin-2-yl)-5-pyrido[2,3-g]quinolin-5-ylphenyl]pyrido[2,3-g]quinoline?

The IUPAC name of 5-[3-(4-phenyl-6-pyridin-4-yl-1,3,5-triazin-2-yl)-5-pyrido[2,3-g]quinolin-5-ylphenyl]pyrido[2,3-g]quinoline (CID 153466277) is 5-[3-(4-phenyl-6-pyridin-4-yl-1,3,5-triazin-2-yl)-5-pyrido[2,3-g]quinolin-5-ylphenyl]pyrido[2,3-g]quinoline.

What is the SMILES notation for 5-[3-(4-phenyl-6-pyridin-4-yl-1,3,5-triazin-2-yl)-5-pyrido[2,3-g]quinolin-5-ylphenyl]pyrido[2,3-g]quinoline?

The canonical SMILES for 5-[3-(4-phenyl-6-pyridin-4-yl-1,3,5-triazin-2-yl)-5-pyrido[2,3-g]quinolin-5-ylphenyl]pyrido[2,3-g]quinoline is c1ccc(-c2nc(-c3ccncc3)nc(-c3cc(-c4c5cccnc5cc5cccnc45)cc(-c4c5cccnc5cc5cccnc45)c3)n2)cc1.

What is the InChIKey of 5-[3-(4-phenyl-6-pyridin-4-yl-1,3,5-triazin-2-yl)-5-pyrido[2,3-g]quinolin-5-ylphenyl]pyrido[2,3-g]quinoline?

The InChIKey is NPABYCYGRLENFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H26N8/c1-2-8-27(9-3-1)42-50-43(28-14-20-45-21-15-28)52-44(51-42)33-23-31(38-34-12-6-16-46-36(34)25-29-10-4-18-48-40(29)38)22-32(24-33)39-35-13-7-17-47-37(35)26-30-11-5-19-49-41(30)39/h1-26H.

What are the key properties of 5-[3-(4-phenyl-6-pyridin-4-yl-1,3,5-triazin-2-yl)-5-pyrido[2,3-g]quinolin-5-ylphenyl]pyrido[2,3-g]quinoline?

5-[3-(4-phenyl-6-pyridin-4-yl-1,3,5-triazin-2-yl)-5-pyrido[2,3-g]quinolin-5-ylphenyl]pyrido[2,3-g]quinoline has a molecular weight of 666.75 g/mol, XLogP of 9.79, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[3-(4-phenyl-6-pyridin-4-yl-1,3,5-triazin-2-yl)-5-pyrido[2,3-g]quinolin-5-ylphenyl]pyrido[2,3-g]quinoline is sourced from PubChem (CID 153466277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).