2-[4-[6-[2-(1,3,5-triazin-2-yl)quinolin-6-yl]quinolin-2-yl]naphthalen-1-yl]-1,10-phenanthroline;2-[6-[6-[2-(1,3,5-triazin-2-yl)quinolin-6-yl]quinolin-2-yl]naphthalen-2-yl]-1,10-phenanthroline

C86H50N14 — CID 157057825

About 2-[4-[6-[2-(1,3,5-triazin-2-yl)quinolin-6-yl]quinolin-2-yl]naphthalen-1-yl]-1,10-phenanthroline;2-[6-[6-[2-(1,3,5-triazin-2-yl)quinolin-6-yl]quinolin-2-yl]naphthalen-2-yl]-1,10-phenanthroline

2-[4-[6-[2-(1,3,5-triazin-2-yl)quinolin-6-yl]quinolin-2-yl]naphthalen-1-yl]-1,10-phenanthroline;2-[6-[6-[2-(1,3,5-triazin-2-yl)quinolin-6-yl]quinolin-2-yl]naphthalen-2-yl]-1,10-phenanthroline (PubChem CID 157057825) has the molecular formula C86H50N14 and a molecular weight of 1279.44 g/mol. Its IUPAC name is 2-[4-[6-[2-(1,3,5-triazin-2-yl)quinolin-6-yl]quinolin-2-yl]naphthalen-1-yl]-1,10-phenanthroline;2-[6-[6-[2-(1,3,5-triazin-2-yl)quinolin-6-yl]quinolin-2-yl]naphthalen-2-yl]-1,10-phenanthroline.

Molecular Properties

• Compound Name: 2-[4-[6-[2-(1,3,5-triazin-2-yl)quinolin-6-yl]quinolin-2-yl]naphthalen-1-yl]-1,10-phenanthroline;2-[6-[6-[2-(1,3,5-triazin-2-yl)quinolin-6-yl]quinolin-2-yl]naphthalen-2-yl]-1,10-phenanthroline
• PubChem CID: 157057825
• Molecular Formula: C86H50N14
• Molecular Weight: 1279.44 g/mol
• Exact Mass: 1278.43
• IUPAC Name: 2-[4-[6-[2-(1,3,5-triazin-2-yl)quinolin-6-yl]quinolin-2-yl]naphthalen-1-yl]-1,10-phenanthroline;2-[6-[6-[2-(1,3,5-triazin-2-yl)quinolin-6-yl]quinolin-2-yl]naphthalen-2-yl]-1,10-phenanthroline
• SMILES: c1cnc2c(c1)ccc1ccc(-c3ccc(-c4ccc5cc(-c6ccc7nc(-c8ncncn8)ccc7c6)ccc5n4)c4ccccc34)nc12.c1cnc2c(c1)ccc1ccc(-c3ccc4cc(-c5ccc6cc(-c7ccc8nc(-c9ncncn9)ccc8c7)ccc6n5)ccc4c3)nc12
• InChI: InChI=1S/2C43H25N7/c1-2-26-3-4-27-9-14-39(50-42(27)41(26)45-19-1)33-8-6-28-20-32(7-5-29(28)21-33)37-17-12-34-22-30(10-15-36(34)48-37)31-11-16-38-35(23-31)13-18-40(49-38)43-46-24-44-25-47-43;1-2-6-33-32(5-1)34(14-15-35(33)39-18-9-27-8-7-26-4-3-21-45-41(26)42(27)50-39)38-19-12-30-22-28(10-16-36(30)48-38)29-11-17-37-31(23-29)13-20-40(49-37)43-46-24-44-25-47-43/h2*1-25H
• InChIKey: AAYVQLLGMZWLGQ-UHFFFAOYSA-N
• XLogP: 19.77
• TPSA: 180.46 Ų
• H-Bond Acceptors: 14
• Rotatable Bonds: 8
• Heavy Atoms: 100
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1279.44
LogP ≤ 5	19.77
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	14

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-[4-[6-[2-(1,3,5-triazin-2-yl)quinolin-6-yl]quinolin-2-yl]naphthalen-1-yl]-1,10-phenanthroline;2-[6-[6-[2-(1,3,5-triazin-2-yl)quinolin-6-yl]quinolin-2-yl]naphthalen-2-yl]-1,10-phenanthroline?

The IUPAC name of 2-[4-[6-[2-(1,3,5-triazin-2-yl)quinolin-6-yl]quinolin-2-yl]naphthalen-1-yl]-1,10-phenanthroline;2-[6-[6-[2-(1,3,5-triazin-2-yl)quinolin-6-yl]quinolin-2-yl]naphthalen-2-yl]-1,10-phenanthroline (CID 157057825) is 2-[4-[6-[2-(1,3,5-triazin-2-yl)quinolin-6-yl]quinolin-2-yl]naphthalen-1-yl]-1,10-phenanthroline;2-[6-[6-[2-(1,3,5-triazin-2-yl)quinolin-6-yl]quinolin-2-yl]naphthalen-2-yl]-1,10-phenanthroline.

What is the SMILES notation for 2-[4-[6-[2-(1,3,5-triazin-2-yl)quinolin-6-yl]quinolin-2-yl]naphthalen-1-yl]-1,10-phenanthroline;2-[6-[6-[2-(1,3,5-triazin-2-yl)quinolin-6-yl]quinolin-2-yl]naphthalen-2-yl]-1,10-phenanthroline?

The canonical SMILES for 2-[4-[6-[2-(1,3,5-triazin-2-yl)quinolin-6-yl]quinolin-2-yl]naphthalen-1-yl]-1,10-phenanthroline;2-[6-[6-[2-(1,3,5-triazin-2-yl)quinolin-6-yl]quinolin-2-yl]naphthalen-2-yl]-1,10-phenanthroline is c1cnc2c(c1)ccc1ccc(-c3ccc(-c4ccc5cc(-c6ccc7nc(-c8ncncn8)ccc7c6)ccc5n4)c4ccccc34)nc12.c1cnc2c(c1)ccc1ccc(-c3ccc4cc(-c5ccc6cc(-c7ccc8nc(-c9ncncn9)ccc8c7)ccc6n5)ccc4c3)nc12.

What is the InChIKey of 2-[4-[6-[2-(1,3,5-triazin-2-yl)quinolin-6-yl]quinolin-2-yl]naphthalen-1-yl]-1,10-phenanthroline;2-[6-[6-[2-(1,3,5-triazin-2-yl)quinolin-6-yl]quinolin-2-yl]naphthalen-2-yl]-1,10-phenanthroline?

The InChIKey is AAYVQLLGMZWLGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/2C43H25N7/c1-2-26-3-4-27-9-14-39(50-42(27)41(26)45-19-1)33-8-6-28-20-32(7-5-29(28)21-33)37-17-12-34-22-30(10-15-36(34)48-37)31-11-16-38-35(23-31)13-18-40(49-38)43-46-24-44-25-47-43;1-2-6-33-32(5-1)34(14-15-35(33)39-18-9-27-8-7-26-4-3-21-45-41(26)42(27)50-39)38-19-12-30-22-28(10-16-36(30)48-38)29-11-17-37-31(23-29)13-20-40(49-37)43-46-24-44-25-47-43/h2*1-25H.

What are the key properties of 2-[4-[6-[2-(1,3,5-triazin-2-yl)quinolin-6-yl]quinolin-2-yl]naphthalen-1-yl]-1,10-phenanthroline;2-[6-[6-[2-(1,3,5-triazin-2-yl)quinolin-6-yl]quinolin-2-yl]naphthalen-2-yl]-1,10-phenanthroline?

2-[4-[6-[2-(1,3,5-triazin-2-yl)quinolin-6-yl]quinolin-2-yl]naphthalen-1-yl]-1,10-phenanthroline;2-[6-[6-[2-(1,3,5-triazin-2-yl)quinolin-6-yl]quinolin-2-yl]naphthalen-2-yl]-1,10-phenanthroline has a molecular weight of 1279.44 g/mol, XLogP of 19.77, 8 rotatable bonds, 0 hydrogen bond donors, and 14 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[4-[6-[2-(1,3,5-triazin-2-yl)quinolin-6-yl]quinolin-2-yl]naphthalen-1-yl]-1,10-phenanthroline;2-[6-[6-[2-(1,3,5-triazin-2-yl)quinolin-6-yl]quinolin-2-yl]naphthalen-2-yl]-1,10-phenanthroline is sourced from PubChem (CID 157057825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).