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

C76H50N10 — CID 154597838

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

5-[4-(4,6-diphenylpyrimidin-2-yl)-6-(4,6-diphenyl-1,3,5-triazin-2-yl)-2,3-diphenylphenyl]-10-(4,6-diphenyl-1,3,5-triazin-2-yl)phenazine (PubChem CID 154597838) has the molecular formula C76H50N10 and a molecular weight of 1103.31 g/mol. Its IUPAC name is 5-[4-(4,6-diphenylpyrimidin-2-yl)-6-(4,6-diphenyl-1,3,5-triazin-2-yl)-2,3-diphenylphenyl]-10-(4,6-diphenyl-1,3,5-triazin-2-yl)phenazine.

Molecular Properties

• Compound Name: 5-[4-(4,6-diphenylpyrimidin-2-yl)-6-(4,6-diphenyl-1,3,5-triazin-2-yl)-2,3-diphenylphenyl]-10-(4,6-diphenyl-1,3,5-triazin-2-yl)phenazine
• PubChem CID: 154597838
• Molecular Formula: C76H50N10
• Molecular Weight: 1103.31 g/mol
• Exact Mass: 1102.42
• IUPAC Name: 5-[4-(4,6-diphenylpyrimidin-2-yl)-6-(4,6-diphenyl-1,3,5-triazin-2-yl)-2,3-diphenylphenyl]-10-(4,6-diphenyl-1,3,5-triazin-2-yl)phenazine
• SMILES: c1ccc(-c2cc(-c3ccccc3)nc(-c3cc(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)c(N4c5ccccc5N(c5nc(-c6ccccc6)nc(-c6ccccc6)n5)c5ccccc54)c(-c4ccccc4)c3-c3ccccc3)n2)cc1
• InChI: InChI=1S/C76H50N10/c1-9-29-51(30-10-1)61-50-62(52-31-11-2-12-32-52)78-74(77-61)59-49-60(75-81-70(55-37-17-5-18-38-55)79-71(82-75)56-39-19-6-20-40-56)69(68(54-35-15-4-16-36-54)67(59)53-33-13-3-14-34-53)85-63-45-25-27-47-65(63)86(66-48-28-26-46-64(66)85)76-83-72(57-41-21-7-22-42-57)80-73(84-76)58-43-23-8-24-44-58/h1-50H
• InChIKey: QCOBEBFNPIRSSU-UHFFFAOYSA-N
• XLogP: 18.77
• TPSA: 109.60 Ų
• H-Bond Acceptors: 10
• Rotatable Bonds: 12
• Heavy Atoms: 86
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1103.31
LogP ≤ 5	18.77
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

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

The IUPAC name of 5-[4-(4,6-diphenylpyrimidin-2-yl)-6-(4,6-diphenyl-1,3,5-triazin-2-yl)-2,3-diphenylphenyl]-10-(4,6-diphenyl-1,3,5-triazin-2-yl)phenazine (CID 154597838) is 5-[4-(4,6-diphenylpyrimidin-2-yl)-6-(4,6-diphenyl-1,3,5-triazin-2-yl)-2,3-diphenylphenyl]-10-(4,6-diphenyl-1,3,5-triazin-2-yl)phenazine.

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

The canonical SMILES for 5-[4-(4,6-diphenylpyrimidin-2-yl)-6-(4,6-diphenyl-1,3,5-triazin-2-yl)-2,3-diphenylphenyl]-10-(4,6-diphenyl-1,3,5-triazin-2-yl)phenazine is c1ccc(-c2cc(-c3ccccc3)nc(-c3cc(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)c(N4c5ccccc5N(c5nc(-c6ccccc6)nc(-c6ccccc6)n5)c5ccccc54)c(-c4ccccc4)c3-c3ccccc3)n2)cc1.

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

The InChIKey is QCOBEBFNPIRSSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C76H50N10/c1-9-29-51(30-10-1)61-50-62(52-31-11-2-12-32-52)78-74(77-61)59-49-60(75-81-70(55-37-17-5-18-38-55)79-71(82-75)56-39-19-6-20-40-56)69(68(54-35-15-4-16-36-54)67(59)53-33-13-3-14-34-53)85-63-45-25-27-47-65(63)86(66-48-28-26-46-64(66)85)76-83-72(57-41-21-7-22-42-57)80-73(84-76)58-43-23-8-24-44-58/h1-50H.

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

5-[4-(4,6-diphenylpyrimidin-2-yl)-6-(4,6-diphenyl-1,3,5-triazin-2-yl)-2,3-diphenylphenyl]-10-(4,6-diphenyl-1,3,5-triazin-2-yl)phenazine has a molecular weight of 1103.31 g/mol, XLogP of 18.77, 12 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[4-(4,6-diphenylpyrimidin-2-yl)-6-(4,6-diphenyl-1,3,5-triazin-2-yl)-2,3-diphenylphenyl]-10-(4,6-diphenyl-1,3,5-triazin-2-yl)phenazine is sourced from PubChem (CID 154597838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).