8-[4-[1-[4,6-di(quinolin-8-yl)-1,3,5-triazin-2-yl]pyren-4-yl]-6-quinolin-8-yl-1,3,5-triazin-2-yl]quinoline

C58H32N10 — CID 58233366

About 8-[4-[1-[4,6-di(quinolin-8-yl)-1,3,5-triazin-2-yl]pyren-4-yl]-6-quinolin-8-yl-1,3,5-triazin-2-yl]quinoline

8-[4-[1-[4,6-di(quinolin-8-yl)-1,3,5-triazin-2-yl]pyren-4-yl]-6-quinolin-8-yl-1,3,5-triazin-2-yl]quinoline (PubChem CID 58233366) has the molecular formula C58H32N10 and a molecular weight of 868.96 g/mol. Its IUPAC name is 8-[4-[1-[4,6-di(quinolin-8-yl)-1,3,5-triazin-2-yl]pyren-4-yl]-6-quinolin-8-yl-1,3,5-triazin-2-yl]quinoline.

Molecular Properties

• Compound Name: 8-[4-[1-[4,6-di(quinolin-8-yl)-1,3,5-triazin-2-yl]pyren-4-yl]-6-quinolin-8-yl-1,3,5-triazin-2-yl]quinoline
• PubChem CID: 58233366
• Molecular Formula: C58H32N10
• Molecular Weight: 868.96 g/mol
• Exact Mass: 868.28
• IUPAC Name: 8-[4-[1-[4,6-di(quinolin-8-yl)-1,3,5-triazin-2-yl]pyren-4-yl]-6-quinolin-8-yl-1,3,5-triazin-2-yl]quinoline
• SMILES: c1cnc2c(-c3nc(-c4ccc5c(-c6nc(-c7cccc8cccnc78)nc(-c7cccc8cccnc78)n6)cc6cccc7ccc4c5c76)nc(-c4cccc5cccnc45)n3)cccc2c1
• InChI: InChI=1S/C58H32N10/c1-10-33-24-25-39-41(53-63-54(42-20-2-11-34-16-6-28-59-49(34)42)65-55(64-53)43-21-3-12-35-17-7-29-60-50(35)43)27-26-40-46(32-38(15-1)47(33)48(39)40)58-67-56(44-22-4-13-36-18-8-30-61-51(36)44)66-57(68-58)45-23-5-14-37-19-9-31-62-52(37)45/h1-32H
• InChIKey: FBLKQDNFEVAEKA-UHFFFAOYSA-N
• XLogP: 13.15
• TPSA: 128.90 Ų
• H-Bond Acceptors: 10
• Rotatable Bonds: 6
• Heavy Atoms: 68
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	868.96
LogP ≤ 5	13.15
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	10

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 8-[4-[1-[4,6-di(quinolin-8-yl)-1,3,5-triazin-2-yl]pyren-4-yl]-6-quinolin-8-yl-1,3,5-triazin-2-yl]quinoline?

The IUPAC name of 8-[4-[1-[4,6-di(quinolin-8-yl)-1,3,5-triazin-2-yl]pyren-4-yl]-6-quinolin-8-yl-1,3,5-triazin-2-yl]quinoline (CID 58233366) is 8-[4-[1-[4,6-di(quinolin-8-yl)-1,3,5-triazin-2-yl]pyren-4-yl]-6-quinolin-8-yl-1,3,5-triazin-2-yl]quinoline.

What is the SMILES notation for 8-[4-[1-[4,6-di(quinolin-8-yl)-1,3,5-triazin-2-yl]pyren-4-yl]-6-quinolin-8-yl-1,3,5-triazin-2-yl]quinoline?

The canonical SMILES for 8-[4-[1-[4,6-di(quinolin-8-yl)-1,3,5-triazin-2-yl]pyren-4-yl]-6-quinolin-8-yl-1,3,5-triazin-2-yl]quinoline is c1cnc2c(-c3nc(-c4ccc5c(-c6nc(-c7cccc8cccnc78)nc(-c7cccc8cccnc78)n6)cc6cccc7ccc4c5c76)nc(-c4cccc5cccnc45)n3)cccc2c1.

What is the InChIKey of 8-[4-[1-[4,6-di(quinolin-8-yl)-1,3,5-triazin-2-yl]pyren-4-yl]-6-quinolin-8-yl-1,3,5-triazin-2-yl]quinoline?

The InChIKey is FBLKQDNFEVAEKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H32N10/c1-10-33-24-25-39-41(53-63-54(42-20-2-11-34-16-6-28-59-49(34)42)65-55(64-53)43-21-3-12-35-17-7-29-60-50(35)43)27-26-40-46(32-38(15-1)47(33)48(39)40)58-67-56(44-22-4-13-36-18-8-30-61-51(36)44)66-57(68-58)45-23-5-14-37-19-9-31-62-52(37)45/h1-32H.

What are the key properties of 8-[4-[1-[4,6-di(quinolin-8-yl)-1,3,5-triazin-2-yl]pyren-4-yl]-6-quinolin-8-yl-1,3,5-triazin-2-yl]quinoline?

8-[4-[1-[4,6-di(quinolin-8-yl)-1,3,5-triazin-2-yl]pyren-4-yl]-6-quinolin-8-yl-1,3,5-triazin-2-yl]quinoline has a molecular weight of 868.96 g/mol, XLogP of 13.15, 6 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 8-[4-[1-[4,6-di(quinolin-8-yl)-1,3,5-triazin-2-yl]pyren-4-yl]-6-quinolin-8-yl-1,3,5-triazin-2-yl]quinoline is sourced from PubChem (CID 58233366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).