2-[2-[4,6-bis(4-methylphenyl)-1,3,5-triazin-2-yl]-4-[3-(4-quinolin-2-ylphenyl)phenyl]phenyl]quinoline

C53H37N5 — CID 67356244

About 2-[2-[4,6-bis(4-methylphenyl)-1,3,5-triazin-2-yl]-4-[3-(4-quinolin-2-ylphenyl)phenyl]phenyl]quinoline

2-[2-[4,6-bis(4-methylphenyl)-1,3,5-triazin-2-yl]-4-[3-(4-quinolin-2-ylphenyl)phenyl]phenyl]quinoline (PubChem CID 67356244) has the molecular formula C53H37N5 and a molecular weight of 743.91 g/mol. Its IUPAC name is 2-[2-[4,6-bis(4-methylphenyl)-1,3,5-triazin-2-yl]-4-[3-(4-quinolin-2-ylphenyl)phenyl]phenyl]quinoline.

Molecular Properties

• Compound Name: 2-[2-[4,6-bis(4-methylphenyl)-1,3,5-triazin-2-yl]-4-[3-(4-quinolin-2-ylphenyl)phenyl]phenyl]quinoline
• PubChem CID: 67356244
• Molecular Formula: C53H37N5
• Molecular Weight: 743.91 g/mol
• Exact Mass: 743.30
• IUPAC Name: 2-[2-[4,6-bis(4-methylphenyl)-1,3,5-triazin-2-yl]-4-[3-(4-quinolin-2-ylphenyl)phenyl]phenyl]quinoline
• SMILES: Cc1ccc(-c2nc(-c3ccc(C)cc3)nc(-c3cc(-c4cccc(-c5ccc(-c6ccc7ccccc7n6)cc5)c4)ccc3-c3ccc4ccccc4n3)n2)cc1
• InChI: InChI=1S/C53H37N5/c1-34-14-18-40(19-15-34)51-56-52(41-20-16-35(2)17-21-41)58-53(57-51)46-33-44(26-29-45(46)50-31-28-38-9-4-6-13-48(38)55-50)43-11-7-10-42(32-43)36-22-24-39(25-23-36)49-30-27-37-8-3-5-12-47(37)54-49/h3-33H,1-2H3
• InChIKey: ZFVFHGNYCPCTIX-UHFFFAOYSA-N
• XLogP: 13.25
• TPSA: 64.45 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 58
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	743.91
LogP ≤ 5	13.25
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of 2-[2-[4,6-bis(4-methylphenyl)-1,3,5-triazin-2-yl]-4-[3-(4-quinolin-2-ylphenyl)phenyl]phenyl]quinoline (CID 67356244) is 2-[2-[4,6-bis(4-methylphenyl)-1,3,5-triazin-2-yl]-4-[3-(4-quinolin-2-ylphenyl)phenyl]phenyl]quinoline.

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

The canonical SMILES for 2-[2-[4,6-bis(4-methylphenyl)-1,3,5-triazin-2-yl]-4-[3-(4-quinolin-2-ylphenyl)phenyl]phenyl]quinoline is Cc1ccc(-c2nc(-c3ccc(C)cc3)nc(-c3cc(-c4cccc(-c5ccc(-c6ccc7ccccc7n6)cc5)c4)ccc3-c3ccc4ccccc4n3)n2)cc1.

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

The InChIKey is ZFVFHGNYCPCTIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C53H37N5/c1-34-14-18-40(19-15-34)51-56-52(41-20-16-35(2)17-21-41)58-53(57-51)46-33-44(26-29-45(46)50-31-28-38-9-4-6-13-48(38)55-50)43-11-7-10-42(32-43)36-22-24-39(25-23-36)49-30-27-37-8-3-5-12-47(37)54-49/h3-33H,1-2H3.

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

2-[2-[4,6-bis(4-methylphenyl)-1,3,5-triazin-2-yl]-4-[3-(4-quinolin-2-ylphenyl)phenyl]phenyl]quinoline has a molecular weight of 743.91 g/mol, XLogP of 13.25, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[2-[4,6-bis(4-methylphenyl)-1,3,5-triazin-2-yl]-4-[3-(4-quinolin-2-ylphenyl)phenyl]phenyl]quinoline is sourced from PubChem (CID 67356244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).