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

C65H43N9 — CID 154597670

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

5-(4,6-diphenylpyrimidin-2-yl)-10-[4-(2,6-diphenylpyrimidin-4-yl)-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenazine (PubChem CID 154597670) has the molecular formula C65H43N9 and a molecular weight of 950.12 g/mol. Its IUPAC name is 5-(4,6-diphenylpyrimidin-2-yl)-10-[4-(2,6-diphenylpyrimidin-4-yl)-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenazine.

Molecular Properties

• Compound Name: 5-(4,6-diphenylpyrimidin-2-yl)-10-[4-(2,6-diphenylpyrimidin-4-yl)-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenazine
• PubChem CID: 154597670
• Molecular Formula: C65H43N9
• Molecular Weight: 950.12 g/mol
• Exact Mass: 949.36
• IUPAC Name: 5-(4,6-diphenylpyrimidin-2-yl)-10-[4-(2,6-diphenylpyrimidin-4-yl)-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenazine
• SMILES: c1ccc(-c2cc(-c3ccc(N4c5ccccc5N(c5nc(-c6ccccc6)cc(-c6ccccc6)n5)c5ccccc54)c(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)c3)nc(-c3ccccc3)n2)cc1
• InChI: InChI=1S/C65H43N9/c1-7-23-44(24-8-1)52-42-55(67-61(66-52)47-29-13-4-14-30-47)50-39-40-56(51(41-50)64-71-62(48-31-15-5-16-32-48)70-63(72-64)49-33-17-6-18-34-49)73-57-35-19-21-37-59(57)74(60-38-22-20-36-58(60)73)65-68-53(45-25-9-2-10-26-45)43-54(69-65)46-27-11-3-12-28-46/h1-43H
• InChIKey: SFHZPXBJJMZQHB-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-(4,6-diphenylpyrimidin-2-yl)-10-[4-(2,6-diphenylpyrimidin-4-yl)-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenazine?

The IUPAC name of 5-(4,6-diphenylpyrimidin-2-yl)-10-[4-(2,6-diphenylpyrimidin-4-yl)-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenazine (CID 154597670) is 5-(4,6-diphenylpyrimidin-2-yl)-10-[4-(2,6-diphenylpyrimidin-4-yl)-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenazine.

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

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

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

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

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

5-(4,6-diphenylpyrimidin-2-yl)-10-[4-(2,6-diphenylpyrimidin-4-yl)-2-(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-(4,6-diphenylpyrimidin-2-yl)-10-[4-(2,6-diphenylpyrimidin-4-yl)-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenazine is sourced from PubChem (CID 154597670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).