10-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-phenoxazin-10-ylphenyl]phenyl]phenoxazine

C66H42N8O2 — CID 129291614

About 10-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-phenoxazin-10-ylphenyl]phenyl]phenoxazine

10-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-phenoxazin-10-ylphenyl]phenyl]phenoxazine (PubChem CID 129291614) has the molecular formula C66H42N8O2 and a molecular weight of 979.12 g/mol. Its IUPAC name is 10-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-phenoxazin-10-ylphenyl]phenyl]phenoxazine.

Molecular Properties

• Compound Name: 10-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-phenoxazin-10-ylphenyl]phenyl]phenoxazine
• PubChem CID: 129291614
• Molecular Formula: C66H42N8O2
• Molecular Weight: 979.12 g/mol
• Exact Mass: 978.34
• IUPAC Name: 10-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-phenoxazin-10-ylphenyl]phenyl]phenoxazine
• SMILES: c1ccc(-c2nc(-c3ccccc3)nc(-c3cc(-c4cc(-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)cc(N5c6ccccc6Oc6ccccc65)c4)cc(N4c5ccccc5Oc5ccccc54)c3)n2)cc1
• InChI: InChI=1S/C66H42N8O2/c1-5-21-43(22-6-1)61-67-62(44-23-7-2-8-24-44)70-65(69-61)49-37-47(39-51(41-49)73-53-29-13-17-33-57(53)75-58-34-18-14-30-54(58)73)48-38-50(42-52(40-48)74-55-31-15-19-35-59(55)76-60-36-20-16-32-56(60)74)66-71-63(45-25-9-3-10-26-45)68-64(72-66)46-27-11-4-12-28-46/h1-42H
• InChIKey: GLOAQTOTCVQZGK-UHFFFAOYSA-N
• XLogP: 16.88
• TPSA: 102.28 Ų
• H-Bond Acceptors: 10
• Rotatable Bonds: 9
• Heavy Atoms: 76
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	979.12
LogP ≤ 5	16.88
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

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

The IUPAC name of 10-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-phenoxazin-10-ylphenyl]phenyl]phenoxazine (CID 129291614) is 10-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-phenoxazin-10-ylphenyl]phenyl]phenoxazine.

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

The canonical SMILES for 10-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-phenoxazin-10-ylphenyl]phenyl]phenoxazine is c1ccc(-c2nc(-c3ccccc3)nc(-c3cc(-c4cc(-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)cc(N5c6ccccc6Oc6ccccc65)c4)cc(N4c5ccccc5Oc5ccccc54)c3)n2)cc1.

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

The InChIKey is GLOAQTOTCVQZGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C66H42N8O2/c1-5-21-43(22-6-1)61-67-62(44-23-7-2-8-24-44)70-65(69-61)49-37-47(39-51(41-49)73-53-29-13-17-33-57(53)75-58-34-18-14-30-54(58)73)48-38-50(42-52(40-48)74-55-31-15-19-35-59(55)76-60-36-20-16-32-56(60)74)66-71-63(45-25-9-3-10-26-45)68-64(72-66)46-27-11-4-12-28-46/h1-42H.

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

10-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-phenoxazin-10-ylphenyl]phenyl]phenoxazine has a molecular weight of 979.12 g/mol, XLogP of 16.88, 9 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 10-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-phenoxazin-10-ylphenyl]phenyl]phenoxazine is sourced from PubChem (CID 129291614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).