4-phenyl-6-(3-phenylphenyl)-2-(3-spiro[fluorene-9,10'-indeno[1,2-b][1]benzofuran]-2'-ylphenyl)pyrimidine

C55H34N2O — CID 134529155

About 4-phenyl-6-(3-phenylphenyl)-2-(3-spiro[fluorene-9,10'-indeno[1,2-b][1]benzofuran]-2'-ylphenyl)pyrimidine

4-phenyl-6-(3-phenylphenyl)-2-(3-spiro[fluorene-9,10'-indeno[1,2-b][1]benzofuran]-2'-ylphenyl)pyrimidine (PubChem CID 134529155) has the molecular formula C55H34N2O and a molecular weight of 738.89 g/mol. Its IUPAC name is 4-phenyl-6-(3-phenylphenyl)-2-(3-spiro[fluorene-9,10'-indeno[1,2-b][1]benzofuran]-2'-ylphenyl)pyrimidine.

Molecular Properties

• Compound Name: 4-phenyl-6-(3-phenylphenyl)-2-(3-spiro[fluorene-9,10'-indeno[1,2-b][1]benzofuran]-2'-ylphenyl)pyrimidine
• PubChem CID: 134529155
• Molecular Formula: C55H34N2O
• Molecular Weight: 738.89 g/mol
• Exact Mass: 738.27
• IUPAC Name: 4-phenyl-6-(3-phenylphenyl)-2-(3-spiro[fluorene-9,10'-indeno[1,2-b][1]benzofuran]-2'-ylphenyl)pyrimidine
• SMILES: c1ccc(-c2cccc(-c3cc(-c4ccccc4)nc(-c4cccc(-c5ccc6c(c5)C5(c7ccccc7-c7ccccc75)c5c-6oc6ccccc56)c4)n3)c2)cc1
• InChI: InChI=1S/C55H34N2O/c1-3-15-35(16-4-1)37-19-13-21-40(31-37)50-34-49(36-17-5-2-6-18-36)56-54(57-50)41-22-14-20-38(32-41)39-29-30-44-48(33-39)55(52-45-25-9-12-28-51(45)58-53(44)52)46-26-10-7-23-42(46)43-24-8-11-27-47(43)55/h1-34H
• InChIKey: YENLPSSHUUTCHT-UHFFFAOYSA-N
• XLogP: 13.90
• TPSA: 38.92 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 5
• Heavy Atoms: 58
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	738.89
LogP ≤ 5	13.90
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of 4-phenyl-6-(3-phenylphenyl)-2-(3-spiro[fluorene-9,10'-indeno[1,2-b][1]benzofuran]-2'-ylphenyl)pyrimidine?

The IUPAC name of 4-phenyl-6-(3-phenylphenyl)-2-(3-spiro[fluorene-9,10'-indeno[1,2-b][1]benzofuran]-2'-ylphenyl)pyrimidine (CID 134529155) is 4-phenyl-6-(3-phenylphenyl)-2-(3-spiro[fluorene-9,10'-indeno[1,2-b][1]benzofuran]-2'-ylphenyl)pyrimidine.

What is the SMILES notation for 4-phenyl-6-(3-phenylphenyl)-2-(3-spiro[fluorene-9,10'-indeno[1,2-b][1]benzofuran]-2'-ylphenyl)pyrimidine?

The canonical SMILES for 4-phenyl-6-(3-phenylphenyl)-2-(3-spiro[fluorene-9,10'-indeno[1,2-b][1]benzofuran]-2'-ylphenyl)pyrimidine is c1ccc(-c2cccc(-c3cc(-c4ccccc4)nc(-c4cccc(-c5ccc6c(c5)C5(c7ccccc7-c7ccccc75)c5c-6oc6ccccc56)c4)n3)c2)cc1.

What is the InChIKey of 4-phenyl-6-(3-phenylphenyl)-2-(3-spiro[fluorene-9,10'-indeno[1,2-b][1]benzofuran]-2'-ylphenyl)pyrimidine?

The InChIKey is YENLPSSHUUTCHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C55H34N2O/c1-3-15-35(16-4-1)37-19-13-21-40(31-37)50-34-49(36-17-5-2-6-18-36)56-54(57-50)41-22-14-20-38(32-41)39-29-30-44-48(33-39)55(52-45-25-9-12-28-51(45)58-53(44)52)46-26-10-7-23-42(46)43-24-8-11-27-47(43)55/h1-34H.

What are the key properties of 4-phenyl-6-(3-phenylphenyl)-2-(3-spiro[fluorene-9,10'-indeno[1,2-b][1]benzofuran]-2'-ylphenyl)pyrimidine?

4-phenyl-6-(3-phenylphenyl)-2-(3-spiro[fluorene-9,10'-indeno[1,2-b][1]benzofuran]-2'-ylphenyl)pyrimidine has a molecular weight of 738.89 g/mol, XLogP of 13.90, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 4-phenyl-6-(3-phenylphenyl)-2-(3-spiro[fluorene-9,10'-indeno[1,2-b][1]benzofuran]-2'-ylphenyl)pyrimidine is sourced from PubChem (CID 134529155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).