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

C63H43N3 — CID 167363657

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

2-(3,5-diphenylphenyl)-4-phenyl-6-[4-(2,3,5,6-tetraphenyl-4-pyridinyl)phenyl]pyrimidine (PubChem CID 167363657) has the molecular formula C63H43N3 and a molecular weight of 842.06 g/mol. Its IUPAC name is 2-(3,5-diphenylphenyl)-4-phenyl-6-[4-(2,3,5,6-tetraphenyl-4-pyridinyl)phenyl]pyrimidine.

Molecular Properties

• Compound Name: 2-(3,5-diphenylphenyl)-4-phenyl-6-[4-(2,3,5,6-tetraphenyl-4-pyridinyl)phenyl]pyrimidine
• PubChem CID: 167363657
• Molecular Formula: C63H43N3
• Molecular Weight: 842.06 g/mol
• Exact Mass: 841.35
• IUPAC Name: 2-(3,5-diphenylphenyl)-4-phenyl-6-[4-(2,3,5,6-tetraphenyl-4-pyridinyl)phenyl]pyrimidine
• SMILES: c1ccc(-c2cc(-c3ccccc3)cc(-c3nc(-c4ccccc4)cc(-c4ccc(-c5c(-c6ccccc6)c(-c6ccccc6)nc(-c6ccccc6)c5-c5ccccc5)cc4)n3)c2)cc1
• InChI: InChI=1S/C63H43N3/c1-8-22-44(23-9-1)53-40-54(45-24-10-2-11-25-45)42-55(41-53)63-64-56(46-26-12-3-13-27-46)43-57(65-63)47-36-38-50(39-37-47)58-59(48-28-14-4-15-29-48)61(51-32-18-6-19-33-51)66-62(52-34-20-7-21-35-52)60(58)49-30-16-5-17-31-49/h1-43H
• InChIKey: MDQJWVBYXHZAEV-UHFFFAOYSA-N
• XLogP: 16.54
• TPSA: 38.67 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 10
• Heavy Atoms: 66
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	842.06
LogP ≤ 5	16.54
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

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

The IUPAC name of 2-(3,5-diphenylphenyl)-4-phenyl-6-[4-(2,3,5,6-tetraphenyl-4-pyridinyl)phenyl]pyrimidine (CID 167363657) is 2-(3,5-diphenylphenyl)-4-phenyl-6-[4-(2,3,5,6-tetraphenyl-4-pyridinyl)phenyl]pyrimidine.

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

The canonical SMILES for 2-(3,5-diphenylphenyl)-4-phenyl-6-[4-(2,3,5,6-tetraphenyl-4-pyridinyl)phenyl]pyrimidine is c1ccc(-c2cc(-c3ccccc3)cc(-c3nc(-c4ccccc4)cc(-c4ccc(-c5c(-c6ccccc6)c(-c6ccccc6)nc(-c6ccccc6)c5-c5ccccc5)cc4)n3)c2)cc1.

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

The InChIKey is MDQJWVBYXHZAEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C63H43N3/c1-8-22-44(23-9-1)53-40-54(45-24-10-2-11-25-45)42-55(41-53)63-64-56(46-26-12-3-13-27-46)43-57(65-63)47-36-38-50(39-37-47)58-59(48-28-14-4-15-29-48)61(51-32-18-6-19-33-51)66-62(52-34-20-7-21-35-52)60(58)49-30-16-5-17-31-49/h1-43H.

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

2-(3,5-diphenylphenyl)-4-phenyl-6-[4-(2,3,5,6-tetraphenyl-4-pyridinyl)phenyl]pyrimidine has a molecular weight of 842.06 g/mol, XLogP of 16.54, 10 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(3,5-diphenylphenyl)-4-phenyl-6-[4-(2,3,5,6-tetraphenyl-4-pyridinyl)phenyl]pyrimidine is sourced from PubChem (CID 167363657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).