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

C65H43N9 — CID 154597840

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

5-(2,6-diphenylpyrimidin-4-yl)-10-[2-(4,6-diphenylpyrimidin-2-yl)-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenazine (PubChem CID 154597840) has the molecular formula C65H43N9 and a molecular weight of 950.12 g/mol. Its IUPAC name is 5-(2,6-diphenylpyrimidin-4-yl)-10-[2-(4,6-diphenylpyrimidin-2-yl)-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenazine.

Molecular Properties

• Compound Name: 5-(2,6-diphenylpyrimidin-4-yl)-10-[2-(4,6-diphenylpyrimidin-2-yl)-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenazine
• PubChem CID: 154597840
• Molecular Formula: C65H43N9
• Molecular Weight: 950.12 g/mol
• Exact Mass: 949.36
• IUPAC Name: 5-(2,6-diphenylpyrimidin-4-yl)-10-[2-(4,6-diphenylpyrimidin-2-yl)-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenazine
• SMILES: c1ccc(-c2cc(N3c4ccccc4N(c4ccc(-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)cc4-c4nc(-c5ccccc5)cc(-c5ccccc5)n4)c4ccccc43)nc(-c3ccccc3)n2)cc1
• InChI: InChI=1S/C65H43N9/c1-7-23-44(24-8-1)52-42-53(45-25-9-2-10-26-45)68-65(67-52)51-41-50(64-71-62(48-31-15-5-16-32-48)70-63(72-64)49-33-17-6-18-34-49)39-40-55(51)73-56-35-19-21-37-58(56)74(59-38-22-20-36-57(59)73)60-43-54(46-27-11-3-12-28-46)66-61(69-60)47-29-13-4-14-30-47/h1-43H
• InChIKey: PHVQUWSWSPAQBA-UHFFFAOYSA-N
• XLogP: 16.04
• TPSA: 96.71 Ų
• H-Bond Acceptors: 9
• Rotatable Bonds: 10
• Heavy Atoms: 74
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	950.12
LogP ≤ 5	16.04
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

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

The IUPAC name of 5-(2,6-diphenylpyrimidin-4-yl)-10-[2-(4,6-diphenylpyrimidin-2-yl)-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenazine (CID 154597840) is 5-(2,6-diphenylpyrimidin-4-yl)-10-[2-(4,6-diphenylpyrimidin-2-yl)-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenazine.

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

The canonical SMILES for 5-(2,6-diphenylpyrimidin-4-yl)-10-[2-(4,6-diphenylpyrimidin-2-yl)-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenazine is c1ccc(-c2cc(N3c4ccccc4N(c4ccc(-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)cc4-c4nc(-c5ccccc5)cc(-c5ccccc5)n4)c4ccccc43)nc(-c3ccccc3)n2)cc1.

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

The InChIKey is PHVQUWSWSPAQBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C65H43N9/c1-7-23-44(24-8-1)52-42-53(45-25-9-2-10-26-45)68-65(67-52)51-41-50(64-71-62(48-31-15-5-16-32-48)70-63(72-64)49-33-17-6-18-34-49)39-40-55(51)73-56-35-19-21-37-58(56)74(59-38-22-20-36-57(59)73)60-43-54(46-27-11-3-12-28-46)66-61(69-60)47-29-13-4-14-30-47/h1-43H.

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

5-(2,6-diphenylpyrimidin-4-yl)-10-[2-(4,6-diphenylpyrimidin-2-yl)-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenazine has a molecular weight of 950.12 g/mol, XLogP of 16.04, 10 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 5-(2,6-diphenylpyrimidin-4-yl)-10-[2-(4,6-diphenylpyrimidin-2-yl)-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenazine is sourced from PubChem (CID 154597840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).