5-[4-(2,6-diphenylpyrimidin-4-yl)-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-10-(4,6-diphenyl-1,3,5-triazin-2-yl)phenazine

C64H42N10 — CID 154597654

About 5-[4-(2,6-diphenylpyrimidin-4-yl)-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-10-(4,6-diphenyl-1,3,5-triazin-2-yl)phenazine

5-[4-(2,6-diphenylpyrimidin-4-yl)-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-10-(4,6-diphenyl-1,3,5-triazin-2-yl)phenazine (PubChem CID 154597654) has the molecular formula C64H42N10 and a molecular weight of 951.11 g/mol. Its IUPAC name is 5-[4-(2,6-diphenylpyrimidin-4-yl)-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-10-(4,6-diphenyl-1,3,5-triazin-2-yl)phenazine.

Molecular Properties

• Compound Name: 5-[4-(2,6-diphenylpyrimidin-4-yl)-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-10-(4,6-diphenyl-1,3,5-triazin-2-yl)phenazine
• PubChem CID: 154597654
• Molecular Formula: C64H42N10
• Molecular Weight: 951.11 g/mol
• Exact Mass: 950.36
• IUPAC Name: 5-[4-(2,6-diphenylpyrimidin-4-yl)-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-10-(4,6-diphenyl-1,3,5-triazin-2-yl)phenazine
• SMILES: c1ccc(-c2cc(-c3ccc(N4c5ccccc5N(c5nc(-c6ccccc6)nc(-c6ccccc6)n5)c5ccccc54)c(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)c3)nc(-c3ccccc3)n2)cc1
• InChI: InChI=1S/C64H42N10/c1-7-23-43(24-8-1)51-42-52(66-58(65-51)44-25-9-2-10-26-44)49-39-40-53(50(41-49)63-69-59(45-27-11-3-12-28-45)67-60(70-63)46-29-13-4-14-30-46)73-54-35-19-21-37-56(54)74(57-38-22-20-36-55(57)73)64-71-61(47-31-15-5-16-32-47)68-62(72-64)48-33-17-6-18-34-48/h1-42H
• InChIKey: LAHJGPWDSHIACK-UHFFFAOYSA-N
• XLogP: 15.44
• TPSA: 109.60 Ų
• H-Bond Acceptors: 10
• Rotatable Bonds: 10
• Heavy Atoms: 74
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	951.11
LogP ≤ 5	15.44
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of 5-[4-(2,6-diphenylpyrimidin-4-yl)-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-10-(4,6-diphenyl-1,3,5-triazin-2-yl)phenazine?

The IUPAC name of 5-[4-(2,6-diphenylpyrimidin-4-yl)-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-10-(4,6-diphenyl-1,3,5-triazin-2-yl)phenazine (CID 154597654) is 5-[4-(2,6-diphenylpyrimidin-4-yl)-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-10-(4,6-diphenyl-1,3,5-triazin-2-yl)phenazine.

What is the SMILES notation for 5-[4-(2,6-diphenylpyrimidin-4-yl)-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-10-(4,6-diphenyl-1,3,5-triazin-2-yl)phenazine?

The canonical SMILES for 5-[4-(2,6-diphenylpyrimidin-4-yl)-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-10-(4,6-diphenyl-1,3,5-triazin-2-yl)phenazine is c1ccc(-c2cc(-c3ccc(N4c5ccccc5N(c5nc(-c6ccccc6)nc(-c6ccccc6)n5)c5ccccc54)c(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)c3)nc(-c3ccccc3)n2)cc1.

What is the InChIKey of 5-[4-(2,6-diphenylpyrimidin-4-yl)-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-10-(4,6-diphenyl-1,3,5-triazin-2-yl)phenazine?

The InChIKey is LAHJGPWDSHIACK-UHFFFAOYSA-N. The full InChI is InChI=1S/C64H42N10/c1-7-23-43(24-8-1)51-42-52(66-58(65-51)44-25-9-2-10-26-44)49-39-40-53(50(41-49)63-69-59(45-27-11-3-12-28-45)67-60(70-63)46-29-13-4-14-30-46)73-54-35-19-21-37-56(54)74(57-38-22-20-36-55(57)73)64-71-61(47-31-15-5-16-32-47)68-62(72-64)48-33-17-6-18-34-48/h1-42H.

What are the key properties of 5-[4-(2,6-diphenylpyrimidin-4-yl)-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-10-(4,6-diphenyl-1,3,5-triazin-2-yl)phenazine?

5-[4-(2,6-diphenylpyrimidin-4-yl)-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-10-(4,6-diphenyl-1,3,5-triazin-2-yl)phenazine has a molecular weight of 951.11 g/mol, XLogP of 15.44, 10 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[4-(2,6-diphenylpyrimidin-4-yl)-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-10-(4,6-diphenyl-1,3,5-triazin-2-yl)phenazine is sourced from PubChem (CID 154597654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).