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

C43H30N2O2 — CID 138575293

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

4-(8,8-dimethylindeno[1,2-a]oxanthren-2-yl)-2-phenyl-6-(3-phenylphenyl)pyrimidine (PubChem CID 138575293) has the molecular formula C43H30N2O2 and a molecular weight of 606.73 g/mol. Its IUPAC name is 4-(8,8-dimethylindeno[1,2-a]oxanthren-2-yl)-2-phenyl-6-(3-phenylphenyl)pyrimidine.

Molecular Properties

• Compound Name: 4-(8,8-dimethylindeno[1,2-a]oxanthren-2-yl)-2-phenyl-6-(3-phenylphenyl)pyrimidine
• PubChem CID: 138575293
• Molecular Formula: C43H30N2O2
• Molecular Weight: 606.73 g/mol
• Exact Mass: 606.23
• IUPAC Name: 4-(8,8-dimethylindeno[1,2-a]oxanthren-2-yl)-2-phenyl-6-(3-phenylphenyl)pyrimidine
• SMILES: CC1(C)c2ccccc2-c2c1ccc1c2Oc2cc(-c3cc(-c4cccc(-c5ccccc5)c4)nc(-c4ccccc4)n3)ccc2O1
• InChI: InChI=1S/C43H30N2O2/c1-43(2)33-19-10-9-18-32(33)40-34(43)21-23-38-41(40)47-39-25-31(20-22-37(39)46-38)36-26-35(44-42(45-36)28-14-7-4-8-15-28)30-17-11-16-29(24-30)27-12-5-3-6-13-27/h3-26H,1-2H3
• InChIKey: QSRBFALVOQYFAE-UHFFFAOYSA-N
• XLogP: 11.35
• TPSA: 44.24 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 4
• Heavy Atoms: 47
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	606.73
LogP ≤ 5	11.35
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

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

The IUPAC name of 4-(8,8-dimethylindeno[1,2-a]oxanthren-2-yl)-2-phenyl-6-(3-phenylphenyl)pyrimidine (CID 138575293) is 4-(8,8-dimethylindeno[1,2-a]oxanthren-2-yl)-2-phenyl-6-(3-phenylphenyl)pyrimidine.

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

The canonical SMILES for 4-(8,8-dimethylindeno[1,2-a]oxanthren-2-yl)-2-phenyl-6-(3-phenylphenyl)pyrimidine is CC1(C)c2ccccc2-c2c1ccc1c2Oc2cc(-c3cc(-c4cccc(-c5ccccc5)c4)nc(-c4ccccc4)n3)ccc2O1.

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

The InChIKey is QSRBFALVOQYFAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H30N2O2/c1-43(2)33-19-10-9-18-32(33)40-34(43)21-23-38-41(40)47-39-25-31(20-22-37(39)46-38)36-26-35(44-42(45-36)28-14-7-4-8-15-28)30-17-11-16-29(24-30)27-12-5-3-6-13-27/h3-26H,1-2H3.

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

4-(8,8-dimethylindeno[1,2-a]oxanthren-2-yl)-2-phenyl-6-(3-phenylphenyl)pyrimidine has a molecular weight of 606.73 g/mol, XLogP of 11.35, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 4-(8,8-dimethylindeno[1,2-a]oxanthren-2-yl)-2-phenyl-6-(3-phenylphenyl)pyrimidine is sourced from PubChem (CID 138575293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).