4-phenyl-2-(2-phenylpyrimidin-5-yl)-6-spiro[fluorene-9,2'-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,9,11,13-heptaene]-5'-ylpyrimidine

C47H30N4 — CID 134253343

About 4-phenyl-2-(2-phenylpyrimidin-5-yl)-6-spiro[fluorene-9,2'-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,9,11,13-heptaene]-5'-ylpyrimidine

4-phenyl-2-(2-phenylpyrimidin-5-yl)-6-spiro[fluorene-9,2'-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,9,11,13-heptaene]-5'-ylpyrimidine (PubChem CID 134253343) has the molecular formula C47H30N4 and a molecular weight of 650.79 g/mol. Its IUPAC name is 4-phenyl-2-(2-phenylpyrimidin-5-yl)-6-spiro[fluorene-9,2'-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,9,11,13-heptaene]-5'-ylpyrimidine.

Molecular Properties

• Compound Name: 4-phenyl-2-(2-phenylpyrimidin-5-yl)-6-spiro[fluorene-9,2'-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,9,11,13-heptaene]-5'-ylpyrimidine
• PubChem CID: 134253343
• Molecular Formula: C47H30N4
• Molecular Weight: 650.79 g/mol
• Exact Mass: 650.25
• IUPAC Name: 4-phenyl-2-(2-phenylpyrimidin-5-yl)-6-spiro[fluorene-9,2'-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,9,11,13-heptaene]-5'-ylpyrimidine
• SMILES: C1=Cc2ccc(-c3cc(-c4ccccc4)nc(-c4cnc(-c5ccccc5)nc4)n3)cc2C2(c3ccccc31)c1ccccc1-c1ccccc12
• InChI: InChI=1S/C47H30N4/c1-3-14-33(15-4-1)43-28-44(51-46(50-43)36-29-48-45(49-30-36)34-16-5-2-6-17-34)35-26-25-32-24-23-31-13-7-10-20-39(31)47(42(32)27-35)40-21-11-8-18-37(40)38-19-9-12-22-41(38)47/h1-30H
• InChIKey: BMPHBLAMUBVHSQ-UHFFFAOYSA-N
• XLogP: 10.78
• TPSA: 51.56 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 4
• Heavy Atoms: 51
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	650.79
LogP ≤ 5	10.78
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

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

Frequently Asked Questions

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

The IUPAC name of 4-phenyl-2-(2-phenylpyrimidin-5-yl)-6-spiro[fluorene-9,2'-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,9,11,13-heptaene]-5'-ylpyrimidine (CID 134253343) is 4-phenyl-2-(2-phenylpyrimidin-5-yl)-6-spiro[fluorene-9,2'-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 4-phenyl-2-(2-phenylpyrimidin-5-yl)-6-spiro[fluorene-9,2'-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,9,11,13-heptaene]-5'-ylpyrimidine?

The canonical SMILES for 4-phenyl-2-(2-phenylpyrimidin-5-yl)-6-spiro[fluorene-9,2'-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,9,11,13-heptaene]-5'-ylpyrimidine is C1=Cc2ccc(-c3cc(-c4ccccc4)nc(-c4cnc(-c5ccccc5)nc4)n3)cc2C2(c3ccccc31)c1ccccc1-c1ccccc12.

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

The InChIKey is BMPHBLAMUBVHSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C47H30N4/c1-3-14-33(15-4-1)43-28-44(51-46(50-43)36-29-48-45(49-30-36)34-16-5-2-6-17-34)35-26-25-32-24-23-31-13-7-10-20-39(31)47(42(32)27-35)40-21-11-8-18-37(40)38-19-9-12-22-41(38)47/h1-30H.

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

4-phenyl-2-(2-phenylpyrimidin-5-yl)-6-spiro[fluorene-9,2'-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,9,11,13-heptaene]-5'-ylpyrimidine has a molecular weight of 650.79 g/mol, XLogP of 10.78, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 4-phenyl-2-(2-phenylpyrimidin-5-yl)-6-spiro[fluorene-9,2'-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,9,11,13-heptaene]-5'-ylpyrimidine is sourced from PubChem (CID 134253343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).