2-[3-[4-[3-(4,6-diphenyl-2-pyridinyl)phenyl]naphthalen-1-yl]phenyl]-4,6-diphenyl-1,3,5-triazine

C54H36N4 — CID 58943423

About 2-[3-[4-[3-(4,6-diphenyl-2-pyridinyl)phenyl]naphthalen-1-yl]phenyl]-4,6-diphenyl-1,3,5-triazine

2-[3-[4-[3-(4,6-diphenyl-2-pyridinyl)phenyl]naphthalen-1-yl]phenyl]-4,6-diphenyl-1,3,5-triazine (PubChem CID 58943423) has the molecular formula C54H36N4 and a molecular weight of 740.91 g/mol. Its IUPAC name is 2-[3-[4-[3-(4,6-diphenyl-2-pyridinyl)phenyl]naphthalen-1-yl]phenyl]-4,6-diphenyl-1,3,5-triazine.

Molecular Properties

• Compound Name: 2-[3-[4-[3-(4,6-diphenyl-2-pyridinyl)phenyl]naphthalen-1-yl]phenyl]-4,6-diphenyl-1,3,5-triazine
• PubChem CID: 58943423
• Molecular Formula: C54H36N4
• Molecular Weight: 740.91 g/mol
• Exact Mass: 740.29
• IUPAC Name: 2-[3-[4-[3-(4,6-diphenyl-2-pyridinyl)phenyl]naphthalen-1-yl]phenyl]-4,6-diphenyl-1,3,5-triazine
• SMILES: c1ccc(-c2cc(-c3ccccc3)nc(-c3cccc(-c4ccc(-c5cccc(-c6nc(-c7ccccc7)nc(-c7ccccc7)n6)c5)c5ccccc45)c3)c2)cc1
• InChI: InChI=1S/C54H36N4/c1-5-17-37(18-6-1)45-35-50(38-19-7-2-8-20-38)55-51(36-45)43-27-15-25-41(33-43)46-31-32-47(49-30-14-13-29-48(46)49)42-26-16-28-44(34-42)54-57-52(39-21-9-3-10-22-39)56-53(58-54)40-23-11-4-12-24-40/h1-36H
• InChIKey: PYRBMVJGRHMFKZ-UHFFFAOYSA-N
• XLogP: 13.76
• TPSA: 51.56 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 8
• Heavy Atoms: 58
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	740.91
LogP ≤ 5	13.76
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 2-[3-[4-[3-(4,6-diphenyl-2-pyridinyl)phenyl]naphthalen-1-yl]phenyl]-4,6-diphenyl-1,3,5-triazine?

The IUPAC name of 2-[3-[4-[3-(4,6-diphenyl-2-pyridinyl)phenyl]naphthalen-1-yl]phenyl]-4,6-diphenyl-1,3,5-triazine (CID 58943423) is 2-[3-[4-[3-(4,6-diphenyl-2-pyridinyl)phenyl]naphthalen-1-yl]phenyl]-4,6-diphenyl-1,3,5-triazine.

What is the SMILES notation for 2-[3-[4-[3-(4,6-diphenyl-2-pyridinyl)phenyl]naphthalen-1-yl]phenyl]-4,6-diphenyl-1,3,5-triazine?

The canonical SMILES for 2-[3-[4-[3-(4,6-diphenyl-2-pyridinyl)phenyl]naphthalen-1-yl]phenyl]-4,6-diphenyl-1,3,5-triazine is c1ccc(-c2cc(-c3ccccc3)nc(-c3cccc(-c4ccc(-c5cccc(-c6nc(-c7ccccc7)nc(-c7ccccc7)n6)c5)c5ccccc45)c3)c2)cc1.

What is the InChIKey of 2-[3-[4-[3-(4,6-diphenyl-2-pyridinyl)phenyl]naphthalen-1-yl]phenyl]-4,6-diphenyl-1,3,5-triazine?

The InChIKey is PYRBMVJGRHMFKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H36N4/c1-5-17-37(18-6-1)45-35-50(38-19-7-2-8-20-38)55-51(36-45)43-27-15-25-41(33-43)46-31-32-47(49-30-14-13-29-48(46)49)42-26-16-28-44(34-42)54-57-52(39-21-9-3-10-22-39)56-53(58-54)40-23-11-4-12-24-40/h1-36H.

What are the key properties of 2-[3-[4-[3-(4,6-diphenyl-2-pyridinyl)phenyl]naphthalen-1-yl]phenyl]-4,6-diphenyl-1,3,5-triazine?

2-[3-[4-[3-(4,6-diphenyl-2-pyridinyl)phenyl]naphthalen-1-yl]phenyl]-4,6-diphenyl-1,3,5-triazine has a molecular weight of 740.91 g/mol, XLogP of 13.76, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[3-[4-[3-(4,6-diphenyl-2-pyridinyl)phenyl]naphthalen-1-yl]phenyl]-4,6-diphenyl-1,3,5-triazine is sourced from PubChem (CID 58943423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).