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

C54H38N8 — CID 136941858

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

5-[4-(2,4-diphenyl-1,2-dihydro-1,3,5-triazin-6-yl)phenyl]-10-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenazine (PubChem CID 136941858) has the molecular formula C54H38N8 and a molecular weight of 798.95 g/mol. Its IUPAC name is 5-[4-(2,4-diphenyl-1,2-dihydro-1,3,5-triazin-6-yl)phenyl]-10-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenazine.

Molecular Properties

• Compound Name: 5-[4-(2,4-diphenyl-1,2-dihydro-1,3,5-triazin-6-yl)phenyl]-10-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenazine
• PubChem CID: 136941858
• Molecular Formula: C54H38N8
• Molecular Weight: 798.95 g/mol
• Exact Mass: 798.32
• IUPAC Name: 5-[4-(2,4-diphenyl-1,2-dihydro-1,3,5-triazin-6-yl)phenyl]-10-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenazine
• SMILES: c1ccc(C2=NC(c3ccccc3)NC(c3ccc(N4c5ccccc5N(c5ccc(-c6nc(-c7ccccc7)nc(-c7ccccc7)n6)cc5)c5ccccc54)cc3)=N2)cc1
• InChI: InChI=1S/C54H38N8/c1-5-17-37(18-6-1)49-55-50(38-19-7-2-8-20-38)58-53(57-49)41-29-33-43(34-30-41)61-45-25-13-15-27-47(45)62(48-28-16-14-26-46(48)61)44-35-31-42(32-36-44)54-59-51(39-21-9-3-10-22-39)56-52(60-54)40-23-11-4-12-24-40/h1-36,49H,(H,55,57,58)
• InChIKey: QLSYMYBQFNDAPO-UHFFFAOYSA-N
• XLogP: 12.62
• TPSA: 81.90 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 8
• Heavy Atoms: 62
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	798.95
LogP ≤ 5	12.62
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

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

The IUPAC name of 5-[4-(2,4-diphenyl-1,2-dihydro-1,3,5-triazin-6-yl)phenyl]-10-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenazine (CID 136941858) is 5-[4-(2,4-diphenyl-1,2-dihydro-1,3,5-triazin-6-yl)phenyl]-10-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenazine.

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

The canonical SMILES for 5-[4-(2,4-diphenyl-1,2-dihydro-1,3,5-triazin-6-yl)phenyl]-10-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenazine is c1ccc(C2=NC(c3ccccc3)NC(c3ccc(N4c5ccccc5N(c5ccc(-c6nc(-c7ccccc7)nc(-c7ccccc7)n6)cc5)c5ccccc54)cc3)=N2)cc1.

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

The InChIKey is QLSYMYBQFNDAPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H38N8/c1-5-17-37(18-6-1)49-55-50(38-19-7-2-8-20-38)58-53(57-49)41-29-33-43(34-30-41)61-45-25-13-15-27-47(45)62(48-28-16-14-26-46(48)61)44-35-31-42(32-36-44)54-59-51(39-21-9-3-10-22-39)56-52(60-54)40-23-11-4-12-24-40/h1-36,49H,(H,55,57,58).

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

5-[4-(2,4-diphenyl-1,2-dihydro-1,3,5-triazin-6-yl)phenyl]-10-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenazine has a molecular weight of 798.95 g/mol, XLogP of 12.62, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[4-(2,4-diphenyl-1,2-dihydro-1,3,5-triazin-6-yl)phenyl]-10-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenazine is sourced from PubChem (CID 136941858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).