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

C70H46N10 — CID 154597832

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

5-[2,4-bis(4,6-diphenyl-1,3,5-triazin-2-yl)-3-phenylphenyl]-10-(2,6-diphenylpyrimidin-4-yl)phenazine (PubChem CID 154597832) has the molecular formula C70H46N10 and a molecular weight of 1027.21 g/mol. Its IUPAC name is 5-[2,4-bis(4,6-diphenyl-1,3,5-triazin-2-yl)-3-phenylphenyl]-10-(2,6-diphenylpyrimidin-4-yl)phenazine.

Molecular Properties

• Compound Name: 5-[2,4-bis(4,6-diphenyl-1,3,5-triazin-2-yl)-3-phenylphenyl]-10-(2,6-diphenylpyrimidin-4-yl)phenazine
• PubChem CID: 154597832
• Molecular Formula: C70H46N10
• Molecular Weight: 1027.21 g/mol
• Exact Mass: 1026.39
• IUPAC Name: 5-[2,4-bis(4,6-diphenyl-1,3,5-triazin-2-yl)-3-phenylphenyl]-10-(2,6-diphenylpyrimidin-4-yl)phenazine
• SMILES: c1ccc(-c2cc(N3c4ccccc4N(c4ccc(-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)c(-c5ccccc5)c4-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)c4ccccc43)nc(-c3ccccc3)n2)cc1
• InChI: InChI=1S/C70H46N10/c1-8-26-47(27-9-1)55-46-61(72-64(71-55)49-30-12-3-13-31-49)80-58-42-24-22-40-56(58)79(57-41-23-25-43-59(57)80)60-45-44-54(69-75-65(50-32-14-4-15-33-50)73-66(76-69)51-34-16-5-17-35-51)62(48-28-10-2-11-29-48)63(60)70-77-67(52-36-18-6-19-37-52)74-68(78-70)53-38-20-7-21-39-53/h1-46H
• InChIKey: KFEWIIFSQPVWRP-UHFFFAOYSA-N
• XLogP: 17.10
• TPSA: 109.60 Ų
• H-Bond Acceptors: 10
• Rotatable Bonds: 11
• Heavy Atoms: 80
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1027.21
LogP ≤ 5	17.10
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

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

The IUPAC name of 5-[2,4-bis(4,6-diphenyl-1,3,5-triazin-2-yl)-3-phenylphenyl]-10-(2,6-diphenylpyrimidin-4-yl)phenazine (CID 154597832) is 5-[2,4-bis(4,6-diphenyl-1,3,5-triazin-2-yl)-3-phenylphenyl]-10-(2,6-diphenylpyrimidin-4-yl)phenazine.

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

The canonical SMILES for 5-[2,4-bis(4,6-diphenyl-1,3,5-triazin-2-yl)-3-phenylphenyl]-10-(2,6-diphenylpyrimidin-4-yl)phenazine is c1ccc(-c2cc(N3c4ccccc4N(c4ccc(-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)c(-c5ccccc5)c4-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)c4ccccc43)nc(-c3ccccc3)n2)cc1.

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

The InChIKey is KFEWIIFSQPVWRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C70H46N10/c1-8-26-47(27-9-1)55-46-61(72-64(71-55)49-30-12-3-13-31-49)80-58-42-24-22-40-56(58)79(57-41-23-25-43-59(57)80)60-45-44-54(69-75-65(50-32-14-4-15-33-50)73-66(76-69)51-34-16-5-17-35-51)62(48-28-10-2-11-29-48)63(60)70-77-67(52-36-18-6-19-37-52)74-68(78-70)53-38-20-7-21-39-53/h1-46H.

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

5-[2,4-bis(4,6-diphenyl-1,3,5-triazin-2-yl)-3-phenylphenyl]-10-(2,6-diphenylpyrimidin-4-yl)phenazine has a molecular weight of 1027.21 g/mol, XLogP of 17.10, 11 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[2,4-bis(4,6-diphenyl-1,3,5-triazin-2-yl)-3-phenylphenyl]-10-(2,6-diphenylpyrimidin-4-yl)phenazine is sourced from PubChem (CID 154597832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).