2-naphthalen-1-yl-4-[6-[4-naphthalen-1-yl-6-(3-pyridin-4-ylphenyl)-1,3,5-triazin-2-yl]pyren-1-yl]-6-(3-pyridin-4-ylphenyl)-1,3,5-triazine

C64H38N8 — CID 146230593

About 2-naphthalen-1-yl-4-[6-[4-naphthalen-1-yl-6-(3-pyridin-4-ylphenyl)-1,3,5-triazin-2-yl]pyren-1-yl]-6-(3-pyridin-4-ylphenyl)-1,3,5-triazine

2-naphthalen-1-yl-4-[6-[4-naphthalen-1-yl-6-(3-pyridin-4-ylphenyl)-1,3,5-triazin-2-yl]pyren-1-yl]-6-(3-pyridin-4-ylphenyl)-1,3,5-triazine (PubChem CID 146230593) has the molecular formula C64H38N8 and a molecular weight of 919.06 g/mol. Its IUPAC name is 2-naphthalen-1-yl-4-[6-[4-naphthalen-1-yl-6-(3-pyridin-4-ylphenyl)-1,3,5-triazin-2-yl]pyren-1-yl]-6-(3-pyridin-4-ylphenyl)-1,3,5-triazine.

Molecular Properties

• Compound Name: 2-naphthalen-1-yl-4-[6-[4-naphthalen-1-yl-6-(3-pyridin-4-ylphenyl)-1,3,5-triazin-2-yl]pyren-1-yl]-6-(3-pyridin-4-ylphenyl)-1,3,5-triazine
• PubChem CID: 146230593
• Molecular Formula: C64H38N8
• Molecular Weight: 919.06 g/mol
• Exact Mass: 918.32
• IUPAC Name: 2-naphthalen-1-yl-4-[6-[4-naphthalen-1-yl-6-(3-pyridin-4-ylphenyl)-1,3,5-triazin-2-yl]pyren-1-yl]-6-(3-pyridin-4-ylphenyl)-1,3,5-triazine
• SMILES: c1cc(-c2ccncc2)cc(-c2nc(-c3cccc4ccccc34)nc(-c3ccc4ccc5c(-c6nc(-c7cccc(-c8ccncc8)c7)nc(-c7cccc8ccccc78)n6)ccc6ccc3c4c65)n2)c1
• InChI: InChI=1S/C64H38N8/c1-3-17-49-41(9-1)11-7-19-53(49)61-67-59(47-15-5-13-45(37-47)39-29-33-65-34-30-39)69-63(71-61)55-27-23-43-22-26-52-56(28-24-44-21-25-51(55)57(43)58(44)52)64-70-60(48-16-6-14-46(38-48)40-31-35-66-36-32-40)68-62(72-64)54-20-8-12-42-10-2-4-18-50(42)54/h1-38H
• InChIKey: VUSSKLSLPDCPNK-UHFFFAOYSA-N
• XLogP: 15.39
• TPSA: 103.12 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 8
• Heavy Atoms: 72
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	919.06
LogP ≤ 5	15.39
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-naphthalen-1-yl-4-[6-[4-naphthalen-1-yl-6-(3-pyridin-4-ylphenyl)-1,3,5-triazin-2-yl]pyren-1-yl]-6-(3-pyridin-4-ylphenyl)-1,3,5-triazine?

The IUPAC name of 2-naphthalen-1-yl-4-[6-[4-naphthalen-1-yl-6-(3-pyridin-4-ylphenyl)-1,3,5-triazin-2-yl]pyren-1-yl]-6-(3-pyridin-4-ylphenyl)-1,3,5-triazine (CID 146230593) is 2-naphthalen-1-yl-4-[6-[4-naphthalen-1-yl-6-(3-pyridin-4-ylphenyl)-1,3,5-triazin-2-yl]pyren-1-yl]-6-(3-pyridin-4-ylphenyl)-1,3,5-triazine.

What is the SMILES notation for 2-naphthalen-1-yl-4-[6-[4-naphthalen-1-yl-6-(3-pyridin-4-ylphenyl)-1,3,5-triazin-2-yl]pyren-1-yl]-6-(3-pyridin-4-ylphenyl)-1,3,5-triazine?

The canonical SMILES for 2-naphthalen-1-yl-4-[6-[4-naphthalen-1-yl-6-(3-pyridin-4-ylphenyl)-1,3,5-triazin-2-yl]pyren-1-yl]-6-(3-pyridin-4-ylphenyl)-1,3,5-triazine is c1cc(-c2ccncc2)cc(-c2nc(-c3cccc4ccccc34)nc(-c3ccc4ccc5c(-c6nc(-c7cccc(-c8ccncc8)c7)nc(-c7cccc8ccccc78)n6)ccc6ccc3c4c65)n2)c1.

What is the InChIKey of 2-naphthalen-1-yl-4-[6-[4-naphthalen-1-yl-6-(3-pyridin-4-ylphenyl)-1,3,5-triazin-2-yl]pyren-1-yl]-6-(3-pyridin-4-ylphenyl)-1,3,5-triazine?

The InChIKey is VUSSKLSLPDCPNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C64H38N8/c1-3-17-49-41(9-1)11-7-19-53(49)61-67-59(47-15-5-13-45(37-47)39-29-33-65-34-30-39)69-63(71-61)55-27-23-43-22-26-52-56(28-24-44-21-25-51(55)57(43)58(44)52)64-70-60(48-16-6-14-46(38-48)40-31-35-66-36-32-40)68-62(72-64)54-20-8-12-42-10-2-4-18-50(42)54/h1-38H.

What are the key properties of 2-naphthalen-1-yl-4-[6-[4-naphthalen-1-yl-6-(3-pyridin-4-ylphenyl)-1,3,5-triazin-2-yl]pyren-1-yl]-6-(3-pyridin-4-ylphenyl)-1,3,5-triazine?

2-naphthalen-1-yl-4-[6-[4-naphthalen-1-yl-6-(3-pyridin-4-ylphenyl)-1,3,5-triazin-2-yl]pyren-1-yl]-6-(3-pyridin-4-ylphenyl)-1,3,5-triazine has a molecular weight of 919.06 g/mol, XLogP of 15.39, 8 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 2-naphthalen-1-yl-4-[6-[4-naphthalen-1-yl-6-(3-pyridin-4-ylphenyl)-1,3,5-triazin-2-yl]pyren-1-yl]-6-(3-pyridin-4-ylphenyl)-1,3,5-triazine is sourced from PubChem (CID 146230593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).