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

C58H34N8 — CID 153466232

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

5-[3-[4-anthracen-2-yl-6-(4-pyridin-3-ylphenyl)-1,3,5-triazin-2-yl]-5-pyrido[2,3-g]quinolin-5-ylphenyl]pyrido[2,3-g]quinoline (PubChem CID 153466232) has the molecular formula C58H34N8 and a molecular weight of 842.97 g/mol. Its IUPAC name is 5-[3-[4-anthracen-2-yl-6-(4-pyridin-3-ylphenyl)-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-anthracen-2-yl-6-(4-pyridin-3-ylphenyl)-1,3,5-triazin-2-yl]-5-pyrido[2,3-g]quinolin-5-ylphenyl]pyrido[2,3-g]quinoline
• PubChem CID: 153466232
• Molecular Formula: C58H34N8
• Molecular Weight: 842.97 g/mol
• Exact Mass: 842.29
• IUPAC Name: 5-[3-[4-anthracen-2-yl-6-(4-pyridin-3-ylphenyl)-1,3,5-triazin-2-yl]-5-pyrido[2,3-g]quinolin-5-ylphenyl]pyrido[2,3-g]quinoline
• SMILES: c1cncc(-c2ccc(-c3nc(-c4cc(-c5c6cccnc6cc6cccnc56)cc(-c5c6cccnc6cc6cccnc56)c4)nc(-c4ccc5cc6ccccc6cc5c4)n3)cc2)c1
• InChI: InChI=1S/C58H34N8/c1-2-9-38-27-44-28-42(20-19-39(44)26-37(38)8-1)57-64-56(36-17-15-35(16-18-36)43-12-3-21-59-34-43)65-58(66-57)47-30-45(52-48-13-6-22-60-50(48)32-40-10-4-24-62-54(40)52)29-46(31-47)53-49-14-7-23-61-51(49)33-41-11-5-25-63-55(41)53/h1-34H
• InChIKey: OVLMZKBERILDPJ-UHFFFAOYSA-N
• XLogP: 13.77
• TPSA: 103.12 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 6
• Heavy Atoms: 66
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	842.97
LogP ≤ 5	13.77
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-anthracen-2-yl-6-(4-pyridin-3-ylphenyl)-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-anthracen-2-yl-6-(4-pyridin-3-ylphenyl)-1,3,5-triazin-2-yl]-5-pyrido[2,3-g]quinolin-5-ylphenyl]pyrido[2,3-g]quinoline (CID 153466232) is 5-[3-[4-anthracen-2-yl-6-(4-pyridin-3-ylphenyl)-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-anthracen-2-yl-6-(4-pyridin-3-ylphenyl)-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-anthracen-2-yl-6-(4-pyridin-3-ylphenyl)-1,3,5-triazin-2-yl]-5-pyrido[2,3-g]quinolin-5-ylphenyl]pyrido[2,3-g]quinoline is c1cncc(-c2ccc(-c3nc(-c4cc(-c5c6cccnc6cc6cccnc56)cc(-c5c6cccnc6cc6cccnc56)c4)nc(-c4ccc5cc6ccccc6cc5c4)n3)cc2)c1.

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

The InChIKey is OVLMZKBERILDPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H34N8/c1-2-9-38-27-44-28-42(20-19-39(44)26-37(38)8-1)57-64-56(36-17-15-35(16-18-36)43-12-3-21-59-34-43)65-58(66-57)47-30-45(52-48-13-6-22-60-50(48)32-40-10-4-24-62-54(40)52)29-46(31-47)53-49-14-7-23-61-51(49)33-41-11-5-25-63-55(41)53/h1-34H.

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

5-[3-[4-anthracen-2-yl-6-(4-pyridin-3-ylphenyl)-1,3,5-triazin-2-yl]-5-pyrido[2,3-g]quinolin-5-ylphenyl]pyrido[2,3-g]quinoline has a molecular weight of 842.97 g/mol, XLogP of 13.77, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[3-[4-anthracen-2-yl-6-(4-pyridin-3-ylphenyl)-1,3,5-triazin-2-yl]-5-pyrido[2,3-g]quinolin-5-ylphenyl]pyrido[2,3-g]quinoline is sourced from PubChem (CID 153466232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).