4-(8,8-diphenylindeno[1,2-a]oxanthren-1-yl)-2-phenyl-6-(3-pyridin-2-ylphenyl)pyrimidine

C52H33N3O2 — CID 138575816

About 4-(8,8-diphenylindeno[1,2-a]oxanthren-1-yl)-2-phenyl-6-(3-pyridin-2-ylphenyl)pyrimidine

4-(8,8-diphenylindeno[1,2-a]oxanthren-1-yl)-2-phenyl-6-(3-pyridin-2-ylphenyl)pyrimidine (PubChem CID 138575816) has the molecular formula C52H33N3O2 and a molecular weight of 731.86 g/mol. Its IUPAC name is 4-(8,8-diphenylindeno[1,2-a]oxanthren-1-yl)-2-phenyl-6-(3-pyridin-2-ylphenyl)pyrimidine.

Molecular Properties

• Compound Name: 4-(8,8-diphenylindeno[1,2-a]oxanthren-1-yl)-2-phenyl-6-(3-pyridin-2-ylphenyl)pyrimidine
• PubChem CID: 138575816
• Molecular Formula: C52H33N3O2
• Molecular Weight: 731.86 g/mol
• Exact Mass: 731.26
• IUPAC Name: 4-(8,8-diphenylindeno[1,2-a]oxanthren-1-yl)-2-phenyl-6-(3-pyridin-2-ylphenyl)pyrimidine
• SMILES: c1ccc(-c2nc(-c3cccc(-c4ccccn4)c3)cc(-c3cccc4c3Oc3c(ccc5c3-c3ccccc3C5(c3ccccc3)c3ccccc3)O4)n2)cc1
• InChI: InChI=1S/C52H33N3O2/c1-4-16-34(17-5-1)51-54-44(36-19-14-18-35(32-36)43-27-12-13-31-53-43)33-45(55-51)40-25-15-28-46-49(40)57-50-47(56-46)30-29-42-48(50)39-24-10-11-26-41(39)52(42,37-20-6-2-7-21-37)38-22-8-3-9-23-38/h1-33H
• InChIKey: GMAFVSAQLKDDPY-UHFFFAOYSA-N
• XLogP: 12.80
• TPSA: 57.13 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 57
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	731.86
LogP ≤ 5	12.80
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of 4-(8,8-diphenylindeno[1,2-a]oxanthren-1-yl)-2-phenyl-6-(3-pyridin-2-ylphenyl)pyrimidine (CID 138575816) is 4-(8,8-diphenylindeno[1,2-a]oxanthren-1-yl)-2-phenyl-6-(3-pyridin-2-ylphenyl)pyrimidine.

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

The canonical SMILES for 4-(8,8-diphenylindeno[1,2-a]oxanthren-1-yl)-2-phenyl-6-(3-pyridin-2-ylphenyl)pyrimidine is c1ccc(-c2nc(-c3cccc(-c4ccccn4)c3)cc(-c3cccc4c3Oc3c(ccc5c3-c3ccccc3C5(c3ccccc3)c3ccccc3)O4)n2)cc1.

What is the InChIKey of 4-(8,8-diphenylindeno[1,2-a]oxanthren-1-yl)-2-phenyl-6-(3-pyridin-2-ylphenyl)pyrimidine?

The InChIKey is GMAFVSAQLKDDPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H33N3O2/c1-4-16-34(17-5-1)51-54-44(36-19-14-18-35(32-36)43-27-12-13-31-53-43)33-45(55-51)40-25-15-28-46-49(40)57-50-47(56-46)30-29-42-48(50)39-24-10-11-26-41(39)52(42,37-20-6-2-7-21-37)38-22-8-3-9-23-38/h1-33H.

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

4-(8,8-diphenylindeno[1,2-a]oxanthren-1-yl)-2-phenyl-6-(3-pyridin-2-ylphenyl)pyrimidine has a molecular weight of 731.86 g/mol, XLogP of 12.80, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 4-(8,8-diphenylindeno[1,2-a]oxanthren-1-yl)-2-phenyl-6-(3-pyridin-2-ylphenyl)pyrimidine is sourced from PubChem (CID 138575816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).