2-[2-(8,8-diphenylindeno[1,2-a]oxanthren-4-yl)phenyl]-4-phenyl-6-(2-phenylphenyl)-1,3,5-triazine

C58H37N3O2 — CID 138575186

About 2-[2-(8,8-diphenylindeno[1,2-a]oxanthren-4-yl)phenyl]-4-phenyl-6-(2-phenylphenyl)-1,3,5-triazine

2-[2-(8,8-diphenylindeno[1,2-a]oxanthren-4-yl)phenyl]-4-phenyl-6-(2-phenylphenyl)-1,3,5-triazine (PubChem CID 138575186) has the molecular formula C58H37N3O2 and a molecular weight of 807.95 g/mol. Its IUPAC name is 2-[2-(8,8-diphenylindeno[1,2-a]oxanthren-4-yl)phenyl]-4-phenyl-6-(2-phenylphenyl)-1,3,5-triazine.

Molecular Properties

• Compound Name: 2-[2-(8,8-diphenylindeno[1,2-a]oxanthren-4-yl)phenyl]-4-phenyl-6-(2-phenylphenyl)-1,3,5-triazine
• PubChem CID: 138575186
• Molecular Formula: C58H37N3O2
• Molecular Weight: 807.95 g/mol
• Exact Mass: 807.29
• IUPAC Name: 2-[2-(8,8-diphenylindeno[1,2-a]oxanthren-4-yl)phenyl]-4-phenyl-6-(2-phenylphenyl)-1,3,5-triazine
• SMILES: c1ccc(-c2nc(-c3ccccc3-c3ccccc3)nc(-c3ccccc3-c3cccc4c3Oc3ccc5c(c3O4)-c3ccccc3C5(c3ccccc3)c3ccccc3)n2)cc1
• InChI: InChI=1S/C58H37N3O2/c1-5-20-38(21-6-1)42-28-13-15-30-45(42)56-59-55(39-22-7-2-8-23-39)60-57(61-56)46-31-16-14-29-43(46)44-33-19-35-50-53(44)62-51-37-36-49-52(54(51)63-50)47-32-17-18-34-48(47)58(49,40-24-9-3-10-25-40)41-26-11-4-12-27-41/h1-37H
• InChIKey: JTEXZTKIDKRMSP-UHFFFAOYSA-N
• XLogP: 14.47
• TPSA: 57.13 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 63
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	807.95
LogP ≤ 5	14.47
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 2-[2-(8,8-diphenylindeno[1,2-a]oxanthren-4-yl)phenyl]-4-phenyl-6-(2-phenylphenyl)-1,3,5-triazine?

The IUPAC name of 2-[2-(8,8-diphenylindeno[1,2-a]oxanthren-4-yl)phenyl]-4-phenyl-6-(2-phenylphenyl)-1,3,5-triazine (CID 138575186) is 2-[2-(8,8-diphenylindeno[1,2-a]oxanthren-4-yl)phenyl]-4-phenyl-6-(2-phenylphenyl)-1,3,5-triazine.

What is the SMILES notation for 2-[2-(8,8-diphenylindeno[1,2-a]oxanthren-4-yl)phenyl]-4-phenyl-6-(2-phenylphenyl)-1,3,5-triazine?

The canonical SMILES for 2-[2-(8,8-diphenylindeno[1,2-a]oxanthren-4-yl)phenyl]-4-phenyl-6-(2-phenylphenyl)-1,3,5-triazine is c1ccc(-c2nc(-c3ccccc3-c3ccccc3)nc(-c3ccccc3-c3cccc4c3Oc3ccc5c(c3O4)-c3ccccc3C5(c3ccccc3)c3ccccc3)n2)cc1.

What is the InChIKey of 2-[2-(8,8-diphenylindeno[1,2-a]oxanthren-4-yl)phenyl]-4-phenyl-6-(2-phenylphenyl)-1,3,5-triazine?

The InChIKey is JTEXZTKIDKRMSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H37N3O2/c1-5-20-38(21-6-1)42-28-13-15-30-45(42)56-59-55(39-22-7-2-8-23-39)60-57(61-56)46-31-16-14-29-43(46)44-33-19-35-50-53(44)62-51-37-36-49-52(54(51)63-50)47-32-17-18-34-48(47)58(49,40-24-9-3-10-25-40)41-26-11-4-12-27-41/h1-37H.

What are the key properties of 2-[2-(8,8-diphenylindeno[1,2-a]oxanthren-4-yl)phenyl]-4-phenyl-6-(2-phenylphenyl)-1,3,5-triazine?

2-[2-(8,8-diphenylindeno[1,2-a]oxanthren-4-yl)phenyl]-4-phenyl-6-(2-phenylphenyl)-1,3,5-triazine has a molecular weight of 807.95 g/mol, XLogP of 14.47, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[2-(8,8-diphenylindeno[1,2-a]oxanthren-4-yl)phenyl]-4-phenyl-6-(2-phenylphenyl)-1,3,5-triazine is sourced from PubChem (CID 138575186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).