2-[4-[3-[4-[2,6-bis(4-phenylphenyl)-4-pyridinyl]phenyl]phenyl]phenyl]-4,6-bis(4-phenylphenyl)-1,3,5-triazine

C74H50N4 — CID 58943606

About 2-[4-[3-[4-[2,6-bis(4-phenylphenyl)-4-pyridinyl]phenyl]phenyl]phenyl]-4,6-bis(4-phenylphenyl)-1,3,5-triazine

2-[4-[3-[4-[2,6-bis(4-phenylphenyl)-4-pyridinyl]phenyl]phenyl]phenyl]-4,6-bis(4-phenylphenyl)-1,3,5-triazine (PubChem CID 58943606) has the molecular formula C74H50N4 and a molecular weight of 995.24 g/mol. Its IUPAC name is 2-[4-[3-[4-[2,6-bis(4-phenylphenyl)-4-pyridinyl]phenyl]phenyl]phenyl]-4,6-bis(4-phenylphenyl)-1,3,5-triazine.

Molecular Properties

• Compound Name: 2-[4-[3-[4-[2,6-bis(4-phenylphenyl)-4-pyridinyl]phenyl]phenyl]phenyl]-4,6-bis(4-phenylphenyl)-1,3,5-triazine
• PubChem CID: 58943606
• Molecular Formula: C74H50N4
• Molecular Weight: 995.24 g/mol
• Exact Mass: 994.40
• IUPAC Name: 2-[4-[3-[4-[2,6-bis(4-phenylphenyl)-4-pyridinyl]phenyl]phenyl]phenyl]-4,6-bis(4-phenylphenyl)-1,3,5-triazine
• SMILES: c1ccc(-c2ccc(-c3cc(-c4ccc(-c5cccc(-c6ccc(-c7nc(-c8ccc(-c9ccccc9)cc8)nc(-c8ccc(-c9ccccc9)cc8)n7)cc6)c5)cc4)cc(-c4ccc(-c5ccccc5)cc4)n3)cc2)cc1
• InChI: InChI=1S/C74H50N4/c1-5-14-51(15-6-1)55-28-38-62(39-29-55)70-49-69(50-71(75-70)63-40-30-56(31-41-63)52-16-7-2-8-17-52)61-26-24-59(25-27-61)67-22-13-23-68(48-67)60-36-46-66(47-37-60)74-77-72(64-42-32-57(33-43-64)53-18-9-3-10-19-53)76-73(78-74)65-44-34-58(35-45-65)54-20-11-4-12-21-54/h1-50H
• InChIKey: OVBOZOSCPNXTJE-UHFFFAOYSA-N
• XLogP: 19.27
• TPSA: 51.56 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 12
• Heavy Atoms: 78
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	995.24
LogP ≤ 5	19.27
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

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

The IUPAC name of 2-[4-[3-[4-[2,6-bis(4-phenylphenyl)-4-pyridinyl]phenyl]phenyl]phenyl]-4,6-bis(4-phenylphenyl)-1,3,5-triazine (CID 58943606) is 2-[4-[3-[4-[2,6-bis(4-phenylphenyl)-4-pyridinyl]phenyl]phenyl]phenyl]-4,6-bis(4-phenylphenyl)-1,3,5-triazine.

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

The canonical SMILES for 2-[4-[3-[4-[2,6-bis(4-phenylphenyl)-4-pyridinyl]phenyl]phenyl]phenyl]-4,6-bis(4-phenylphenyl)-1,3,5-triazine is c1ccc(-c2ccc(-c3cc(-c4ccc(-c5cccc(-c6ccc(-c7nc(-c8ccc(-c9ccccc9)cc8)nc(-c8ccc(-c9ccccc9)cc8)n7)cc6)c5)cc4)cc(-c4ccc(-c5ccccc5)cc4)n3)cc2)cc1.

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

The InChIKey is OVBOZOSCPNXTJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C74H50N4/c1-5-14-51(15-6-1)55-28-38-62(39-29-55)70-49-69(50-71(75-70)63-40-30-56(31-41-63)52-16-7-2-8-17-52)61-26-24-59(25-27-61)67-22-13-23-68(48-67)60-36-46-66(47-37-60)74-77-72(64-42-32-57(33-43-64)53-18-9-3-10-19-53)76-73(78-74)65-44-34-58(35-45-65)54-20-11-4-12-21-54/h1-50H.

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

2-[4-[3-[4-[2,6-bis(4-phenylphenyl)-4-pyridinyl]phenyl]phenyl]phenyl]-4,6-bis(4-phenylphenyl)-1,3,5-triazine has a molecular weight of 995.24 g/mol, XLogP of 19.27, 12 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[4-[3-[4-[2,6-bis(4-phenylphenyl)-4-pyridinyl]phenyl]phenyl]phenyl]-4,6-bis(4-phenylphenyl)-1,3,5-triazine is sourced from PubChem (CID 58943606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).