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

C53H34N2O2 — CID 138575666

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

2-(8,8-diphenylindeno[1,2-a]oxanthren-3-yl)-4-phenyl-6-(2-phenylphenyl)pyrimidine (PubChem CID 138575666) has the molecular formula C53H34N2O2 and a molecular weight of 730.87 g/mol. Its IUPAC name is 2-(8,8-diphenylindeno[1,2-a]oxanthren-3-yl)-4-phenyl-6-(2-phenylphenyl)pyrimidine.

Molecular Properties

• Compound Name: 2-(8,8-diphenylindeno[1,2-a]oxanthren-3-yl)-4-phenyl-6-(2-phenylphenyl)pyrimidine
• PubChem CID: 138575666
• Molecular Formula: C53H34N2O2
• Molecular Weight: 730.87 g/mol
• Exact Mass: 730.26
• IUPAC Name: 2-(8,8-diphenylindeno[1,2-a]oxanthren-3-yl)-4-phenyl-6-(2-phenylphenyl)pyrimidine
• SMILES: c1ccc(-c2cc(-c3ccccc3-c3ccccc3)nc(-c3ccc4c(c3)Oc3ccc5c(c3O4)-c3ccccc3C5(c3ccccc3)c3ccccc3)n2)cc1
• InChI: InChI=1S/C53H34N2O2/c1-5-17-35(18-6-1)40-25-13-14-26-41(40)46-34-45(36-19-7-2-8-20-36)54-52(55-46)37-29-31-47-49(33-37)56-48-32-30-44-50(51(48)57-47)42-27-15-16-28-43(42)53(44,38-21-9-3-10-22-38)39-23-11-4-12-24-39/h1-34H
• InChIKey: DEBOXNAFKFBVGT-UHFFFAOYSA-N
• XLogP: 13.41
• TPSA: 44.24 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 6
• Heavy Atoms: 57
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	730.87
LogP ≤ 5	13.41
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

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

The IUPAC name of 2-(8,8-diphenylindeno[1,2-a]oxanthren-3-yl)-4-phenyl-6-(2-phenylphenyl)pyrimidine (CID 138575666) is 2-(8,8-diphenylindeno[1,2-a]oxanthren-3-yl)-4-phenyl-6-(2-phenylphenyl)pyrimidine.

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

The canonical SMILES for 2-(8,8-diphenylindeno[1,2-a]oxanthren-3-yl)-4-phenyl-6-(2-phenylphenyl)pyrimidine is c1ccc(-c2cc(-c3ccccc3-c3ccccc3)nc(-c3ccc4c(c3)Oc3ccc5c(c3O4)-c3ccccc3C5(c3ccccc3)c3ccccc3)n2)cc1.

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

The InChIKey is DEBOXNAFKFBVGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C53H34N2O2/c1-5-17-35(18-6-1)40-25-13-14-26-41(40)46-34-45(36-19-7-2-8-20-36)54-52(55-46)37-29-31-47-49(33-37)56-48-32-30-44-50(51(48)57-47)42-27-15-16-28-43(42)53(44,38-21-9-3-10-22-38)39-23-11-4-12-24-39/h1-34H.

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

2-(8,8-diphenylindeno[1,2-a]oxanthren-3-yl)-4-phenyl-6-(2-phenylphenyl)pyrimidine has a molecular weight of 730.87 g/mol, XLogP of 13.41, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(8,8-diphenylindeno[1,2-a]oxanthren-3-yl)-4-phenyl-6-(2-phenylphenyl)pyrimidine is sourced from PubChem (CID 138575666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).