4-phenyl-6-(6-pyridin-3-yl-3-pyridinyl)-2-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 134253329

About 4-phenyl-6-(6-pyridin-3-yl-3-pyridinyl)-2-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-6-(6-pyridin-3-yl-3-pyridinyl)-2-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 134253329) has the molecular formula C47H30N4 and a molecular weight of 650.79 g/mol. Its IUPAC name is 4-phenyl-6-(6-pyridin-3-yl-3-pyridinyl)-2-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-6-(6-pyridin-3-yl-3-pyridinyl)-2-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: 134253329
• Molecular Formula: C47H30N4
• Molecular Weight: 650.79 g/mol
• Exact Mass: 650.25
• IUPAC Name: 4-phenyl-6-(6-pyridin-3-yl-3-pyridinyl)-2-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(-c3nc(-c4ccccc4)cc(-c4ccc(-c5cccnc5)nc4)n3)cc2C2(c3ccccc31)c1ccccc1-c1ccccc12
• InChI: InChI=1S/C47H30N4/c1-2-12-33(13-3-1)44-28-45(36-24-25-43(49-30-36)35-14-10-26-48-29-35)51-46(50-44)34-23-22-32-21-20-31-11-4-7-17-39(31)47(42(32)27-34)40-18-8-5-15-37(40)38-16-6-9-19-41(38)47/h1-30H
• InChIKey: DGWBOTIYGPYSFB-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-6-(6-pyridin-3-yl-3-pyridinyl)-2-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-6-(6-pyridin-3-yl-3-pyridinyl)-2-spiro[fluorene-9,2'-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,9,11,13-heptaene]-5'-ylpyrimidine (CID 134253329) is 4-phenyl-6-(6-pyridin-3-yl-3-pyridinyl)-2-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-6-(6-pyridin-3-yl-3-pyridinyl)-2-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-6-(6-pyridin-3-yl-3-pyridinyl)-2-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(-c3nc(-c4ccccc4)cc(-c4ccc(-c5cccnc5)nc4)n3)cc2C2(c3ccccc31)c1ccccc1-c1ccccc12.

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

What are the key properties of 4-phenyl-6-(6-pyridin-3-yl-3-pyridinyl)-2-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-6-(6-pyridin-3-yl-3-pyridinyl)-2-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-6-(6-pyridin-3-yl-3-pyridinyl)-2-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 134253329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).