2-phenyl-4-(6-pyridin-3-yl-3-pyridinyl)-6-spiro[fluoreno[2,3-b][1]benzofuran-7,2'-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,9,11,13-heptaene]-5'-ylpyrimidine

C53H32N4O — CID 134251771

About 2-phenyl-4-(6-pyridin-3-yl-3-pyridinyl)-6-spiro[fluoreno[2,3-b][1]benzofuran-7,2'-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,9,11,13-heptaene]-5'-ylpyrimidine

2-phenyl-4-(6-pyridin-3-yl-3-pyridinyl)-6-spiro[fluoreno[2,3-b][1]benzofuran-7,2'-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,9,11,13-heptaene]-5'-ylpyrimidine (PubChem CID 134251771) has the molecular formula C53H32N4O and a molecular weight of 740.87 g/mol. Its IUPAC name is 2-phenyl-4-(6-pyridin-3-yl-3-pyridinyl)-6-spiro[fluoreno[2,3-b][1]benzofuran-7,2'-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,9,11,13-heptaene]-5'-ylpyrimidine.

Molecular Properties

• Compound Name: 2-phenyl-4-(6-pyridin-3-yl-3-pyridinyl)-6-spiro[fluoreno[2,3-b][1]benzofuran-7,2'-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,9,11,13-heptaene]-5'-ylpyrimidine
• PubChem CID: 134251771
• Molecular Formula: C53H32N4O
• Molecular Weight: 740.87 g/mol
• Exact Mass: 740.26
• IUPAC Name: 2-phenyl-4-(6-pyridin-3-yl-3-pyridinyl)-6-spiro[fluoreno[2,3-b][1]benzofuran-7,2'-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,9,11,13-heptaene]-5'-ylpyrimidine
• SMILES: C1=Cc2ccc(-c3cc(-c4ccc(-c5cccnc5)nc4)nc(-c4ccccc4)n3)cc2C2(c3ccccc31)c1ccccc1-c1cc3c(cc12)oc1ccccc13
• InChI: InChI=1S/C53H32N4O/c1-2-12-35(13-3-1)52-56-48(30-49(57-52)38-24-25-47(55-32-38)37-14-10-26-54-31-37)36-23-22-34-21-20-33-11-4-7-17-43(33)53(45(34)27-36)44-18-8-5-15-39(44)41-28-42-40-16-6-9-19-50(40)58-51(42)29-46(41)53/h1-32H
• InChIKey: SIXIEQXZPMVIPZ-UHFFFAOYSA-N
• XLogP: 12.68
• TPSA: 64.70 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 58
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	740.87
LogP ≤ 5	12.68
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'stilbene', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-phenyl-4-(6-pyridin-3-yl-3-pyridinyl)-6-spiro[fluoreno[2,3-b][1]benzofuran-7,2'-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,9,11,13-heptaene]-5'-ylpyrimidine?

The IUPAC name of 2-phenyl-4-(6-pyridin-3-yl-3-pyridinyl)-6-spiro[fluoreno[2,3-b][1]benzofuran-7,2'-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,9,11,13-heptaene]-5'-ylpyrimidine (CID 134251771) is 2-phenyl-4-(6-pyridin-3-yl-3-pyridinyl)-6-spiro[fluoreno[2,3-b][1]benzofuran-7,2'-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,9,11,13-heptaene]-5'-ylpyrimidine.

What is the SMILES notation for 2-phenyl-4-(6-pyridin-3-yl-3-pyridinyl)-6-spiro[fluoreno[2,3-b][1]benzofuran-7,2'-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,9,11,13-heptaene]-5'-ylpyrimidine?

The canonical SMILES for 2-phenyl-4-(6-pyridin-3-yl-3-pyridinyl)-6-spiro[fluoreno[2,3-b][1]benzofuran-7,2'-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,9,11,13-heptaene]-5'-ylpyrimidine is C1=Cc2ccc(-c3cc(-c4ccc(-c5cccnc5)nc4)nc(-c4ccccc4)n3)cc2C2(c3ccccc31)c1ccccc1-c1cc3c(cc12)oc1ccccc13.

What is the InChIKey of 2-phenyl-4-(6-pyridin-3-yl-3-pyridinyl)-6-spiro[fluoreno[2,3-b][1]benzofuran-7,2'-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,9,11,13-heptaene]-5'-ylpyrimidine?

The InChIKey is SIXIEQXZPMVIPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C53H32N4O/c1-2-12-35(13-3-1)52-56-48(30-49(57-52)38-24-25-47(55-32-38)37-14-10-26-54-31-37)36-23-22-34-21-20-33-11-4-7-17-43(33)53(45(34)27-36)44-18-8-5-15-39(44)41-28-42-40-16-6-9-19-50(40)58-51(42)29-46(41)53/h1-32H.

What are the key properties of 2-phenyl-4-(6-pyridin-3-yl-3-pyridinyl)-6-spiro[fluoreno[2,3-b][1]benzofuran-7,2'-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,9,11,13-heptaene]-5'-ylpyrimidine?

2-phenyl-4-(6-pyridin-3-yl-3-pyridinyl)-6-spiro[fluoreno[2,3-b][1]benzofuran-7,2'-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,9,11,13-heptaene]-5'-ylpyrimidine has a molecular weight of 740.87 g/mol, XLogP of 12.68, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-phenyl-4-(6-pyridin-3-yl-3-pyridinyl)-6-spiro[fluoreno[2,3-b][1]benzofuran-7,2'-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,9,11,13-heptaene]-5'-ylpyrimidine is sourced from PubChem (CID 134251771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).