2-phenyl-4-(2-phenylpyrimidin-5-yl)-6-spiro[fluoreno[3,2-b][1]benzofuran-11,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene]-11'-ylpyrimidine

C57H34N4O — CID 134573604

About 2-phenyl-4-(2-phenylpyrimidin-5-yl)-6-spiro[fluoreno[3,2-b][1]benzofuran-11,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene]-11'-ylpyrimidine

2-phenyl-4-(2-phenylpyrimidin-5-yl)-6-spiro[fluoreno[3,2-b][1]benzofuran-11,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene]-11'-ylpyrimidine (PubChem CID 134573604) has the molecular formula C57H34N4O and a molecular weight of 790.93 g/mol. Its IUPAC name is 2-phenyl-4-(2-phenylpyrimidin-5-yl)-6-spiro[fluoreno[3,2-b][1]benzofuran-11,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene]-11'-ylpyrimidine.

Molecular Properties

• Compound Name: 2-phenyl-4-(2-phenylpyrimidin-5-yl)-6-spiro[fluoreno[3,2-b][1]benzofuran-11,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene]-11'-ylpyrimidine
• PubChem CID: 134573604
• Molecular Formula: C57H34N4O
• Molecular Weight: 790.93 g/mol
• Exact Mass: 790.27
• IUPAC Name: 2-phenyl-4-(2-phenylpyrimidin-5-yl)-6-spiro[fluoreno[3,2-b][1]benzofuran-11,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene]-11'-ylpyrimidine
• SMILES: c1ccc(-c2ncc(-c3cc(-c4ccc5c(c4)C4(c6ccccc6-c6ccccc6-5)c5ccccc5-c5cc6oc7ccccc7c6cc54)nc(-c4ccccc4)n3)cn2)cc1
• InChI: InChI=1S/C57H34N4O/c1-3-15-35(16-4-1)55-58-33-38(34-59-55)52-32-51(60-56(61-52)36-17-5-2-6-18-36)37-27-28-43-40-20-8-7-19-39(40)41-21-9-12-24-47(41)57(49(43)29-37)48-25-13-10-22-42(48)45-31-54-46(30-50(45)57)44-23-11-14-26-53(44)62-54/h1-34H
• InChIKey: WGVXOIXLTWJPQQ-UHFFFAOYSA-N
• XLogP: 13.84
• TPSA: 64.70 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 62
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	790.93
LogP ≤ 5	13.84
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 2-phenyl-4-(2-phenylpyrimidin-5-yl)-6-spiro[fluoreno[3,2-b][1]benzofuran-11,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene]-11'-ylpyrimidine?

The IUPAC name of 2-phenyl-4-(2-phenylpyrimidin-5-yl)-6-spiro[fluoreno[3,2-b][1]benzofuran-11,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene]-11'-ylpyrimidine (CID 134573604) is 2-phenyl-4-(2-phenylpyrimidin-5-yl)-6-spiro[fluoreno[3,2-b][1]benzofuran-11,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene]-11'-ylpyrimidine.

What is the SMILES notation for 2-phenyl-4-(2-phenylpyrimidin-5-yl)-6-spiro[fluoreno[3,2-b][1]benzofuran-11,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene]-11'-ylpyrimidine?

The canonical SMILES for 2-phenyl-4-(2-phenylpyrimidin-5-yl)-6-spiro[fluoreno[3,2-b][1]benzofuran-11,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene]-11'-ylpyrimidine is c1ccc(-c2ncc(-c3cc(-c4ccc5c(c4)C4(c6ccccc6-c6ccccc6-5)c5ccccc5-c5cc6oc7ccccc7c6cc54)nc(-c4ccccc4)n3)cn2)cc1.

What is the InChIKey of 2-phenyl-4-(2-phenylpyrimidin-5-yl)-6-spiro[fluoreno[3,2-b][1]benzofuran-11,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene]-11'-ylpyrimidine?

The InChIKey is WGVXOIXLTWJPQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C57H34N4O/c1-3-15-35(16-4-1)55-58-33-38(34-59-55)52-32-51(60-56(61-52)36-17-5-2-6-18-36)37-27-28-43-40-20-8-7-19-39(40)41-21-9-12-24-47(41)57(49(43)29-37)48-25-13-10-22-42(48)45-31-54-46(30-50(45)57)44-23-11-14-26-53(44)62-54/h1-34H.

What are the key properties of 2-phenyl-4-(2-phenylpyrimidin-5-yl)-6-spiro[fluoreno[3,2-b][1]benzofuran-11,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene]-11'-ylpyrimidine?

2-phenyl-4-(2-phenylpyrimidin-5-yl)-6-spiro[fluoreno[3,2-b][1]benzofuran-11,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene]-11'-ylpyrimidine has a molecular weight of 790.93 g/mol, XLogP of 13.84, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-phenyl-4-(2-phenylpyrimidin-5-yl)-6-spiro[fluoreno[3,2-b][1]benzofuran-11,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene]-11'-ylpyrimidine is sourced from PubChem (CID 134573604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).