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

C53H34N2O2 — CID 138575818

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

4-(8,8-diphenylindeno[1,2-a]oxanthren-1-yl)-6-phenyl-2-(2-phenylphenyl)pyrimidine (PubChem CID 138575818) has the molecular formula C53H34N2O2 and a molecular weight of 730.87 g/mol. Its IUPAC name is 4-(8,8-diphenylindeno[1,2-a]oxanthren-1-yl)-6-phenyl-2-(2-phenylphenyl)pyrimidine.

Molecular Properties

• Compound Name: 4-(8,8-diphenylindeno[1,2-a]oxanthren-1-yl)-6-phenyl-2-(2-phenylphenyl)pyrimidine
• PubChem CID: 138575818
• Molecular Formula: C53H34N2O2
• Molecular Weight: 730.87 g/mol
• Exact Mass: 730.26
• IUPAC Name: 4-(8,8-diphenylindeno[1,2-a]oxanthren-1-yl)-6-phenyl-2-(2-phenylphenyl)pyrimidine
• SMILES: c1ccc(-c2cc(-c3cccc4c3Oc3c(ccc5c3-c3ccccc3C5(c3ccccc3)c3ccccc3)O4)nc(-c3ccccc3-c3ccccc3)n2)cc1
• InChI: InChI=1S/C53H34N2O2/c1-5-18-35(19-6-1)39-26-13-14-27-40(39)52-54-45(36-20-7-2-8-21-36)34-46(55-52)42-29-17-31-47-50(42)57-51-48(56-47)33-32-44-49(51)41-28-15-16-30-43(41)53(44,37-22-9-3-10-23-37)38-24-11-4-12-25-38/h1-34H
• InChIKey: QYNIGXFBXPTYCA-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 4-(8,8-diphenylindeno[1,2-a]oxanthren-1-yl)-6-phenyl-2-(2-phenylphenyl)pyrimidine?

The IUPAC name of 4-(8,8-diphenylindeno[1,2-a]oxanthren-1-yl)-6-phenyl-2-(2-phenylphenyl)pyrimidine (CID 138575818) is 4-(8,8-diphenylindeno[1,2-a]oxanthren-1-yl)-6-phenyl-2-(2-phenylphenyl)pyrimidine.

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

The canonical SMILES for 4-(8,8-diphenylindeno[1,2-a]oxanthren-1-yl)-6-phenyl-2-(2-phenylphenyl)pyrimidine is c1ccc(-c2cc(-c3cccc4c3Oc3c(ccc5c3-c3ccccc3C5(c3ccccc3)c3ccccc3)O4)nc(-c3ccccc3-c3ccccc3)n2)cc1.

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

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

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

4-(8,8-diphenylindeno[1,2-a]oxanthren-1-yl)-6-phenyl-2-(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 4-(8,8-diphenylindeno[1,2-a]oxanthren-1-yl)-6-phenyl-2-(2-phenylphenyl)pyrimidine is sourced from PubChem (CID 138575818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).