2-(3,5-diphenylphenyl)-4-phenyl-6-[3-[4-(2,3,5,6-tetraphenyl-4-pyridinyl)phenyl]phenyl]-1,3,5-triazine

C68H46N4 — CID 167363792

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

2-(3,5-diphenylphenyl)-4-phenyl-6-[3-[4-(2,3,5,6-tetraphenyl-4-pyridinyl)phenyl]phenyl]-1,3,5-triazine (PubChem CID 167363792) has the molecular formula C68H46N4 and a molecular weight of 919.14 g/mol. Its IUPAC name is 2-(3,5-diphenylphenyl)-4-phenyl-6-[3-[4-(2,3,5,6-tetraphenyl-4-pyridinyl)phenyl]phenyl]-1,3,5-triazine.

Molecular Properties

• Compound Name: 2-(3,5-diphenylphenyl)-4-phenyl-6-[3-[4-(2,3,5,6-tetraphenyl-4-pyridinyl)phenyl]phenyl]-1,3,5-triazine
• PubChem CID: 167363792
• Molecular Formula: C68H46N4
• Molecular Weight: 919.14 g/mol
• Exact Mass: 918.37
• IUPAC Name: 2-(3,5-diphenylphenyl)-4-phenyl-6-[3-[4-(2,3,5,6-tetraphenyl-4-pyridinyl)phenyl]phenyl]-1,3,5-triazine
• SMILES: c1ccc(-c2cc(-c3ccccc3)cc(-c3nc(-c4ccccc4)nc(-c4cccc(-c5ccc(-c6c(-c7ccccc7)c(-c7ccccc7)nc(-c7ccccc7)c6-c6ccccc6)cc5)c4)n3)c2)cc1
• InChI: InChI=1S/C68H46N4/c1-8-23-47(24-9-1)58-44-59(48-25-10-2-11-26-48)46-60(45-58)68-71-66(55-35-20-7-21-36-55)70-67(72-68)57-38-22-37-56(43-57)49-39-41-52(42-40-49)61-62(50-27-12-3-13-28-50)64(53-31-16-5-17-32-53)69-65(54-33-18-6-19-34-54)63(61)51-29-14-4-15-30-51/h1-46H
• InChIKey: JCJIHXIYCFKBEP-UHFFFAOYSA-N
• XLogP: 17.60
• TPSA: 51.56 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 11
• Heavy Atoms: 72
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	919.14
LogP ≤ 5	17.60
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

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

The IUPAC name of 2-(3,5-diphenylphenyl)-4-phenyl-6-[3-[4-(2,3,5,6-tetraphenyl-4-pyridinyl)phenyl]phenyl]-1,3,5-triazine (CID 167363792) is 2-(3,5-diphenylphenyl)-4-phenyl-6-[3-[4-(2,3,5,6-tetraphenyl-4-pyridinyl)phenyl]phenyl]-1,3,5-triazine.

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

The canonical SMILES for 2-(3,5-diphenylphenyl)-4-phenyl-6-[3-[4-(2,3,5,6-tetraphenyl-4-pyridinyl)phenyl]phenyl]-1,3,5-triazine is c1ccc(-c2cc(-c3ccccc3)cc(-c3nc(-c4ccccc4)nc(-c4cccc(-c5ccc(-c6c(-c7ccccc7)c(-c7ccccc7)nc(-c7ccccc7)c6-c6ccccc6)cc5)c4)n3)c2)cc1.

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

The InChIKey is JCJIHXIYCFKBEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C68H46N4/c1-8-23-47(24-9-1)58-44-59(48-25-10-2-11-26-48)46-60(45-58)68-71-66(55-35-20-7-21-36-55)70-67(72-68)57-38-22-37-56(43-57)49-39-41-52(42-40-49)61-62(50-27-12-3-13-28-50)64(53-31-16-5-17-32-53)69-65(54-33-18-6-19-34-54)63(61)51-29-14-4-15-30-51/h1-46H.

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

2-(3,5-diphenylphenyl)-4-phenyl-6-[3-[4-(2,3,5,6-tetraphenyl-4-pyridinyl)phenyl]phenyl]-1,3,5-triazine has a molecular weight of 919.14 g/mol, XLogP of 17.60, 11 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(3,5-diphenylphenyl)-4-phenyl-6-[3-[4-(2,3,5,6-tetraphenyl-4-pyridinyl)phenyl]phenyl]-1,3,5-triazine is sourced from PubChem (CID 167363792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).