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

C51H32N4 — CID 134258345

About 2-phenyl-4-(6-pyridin-3-yl-3-pyridinyl)-6-spiro[benzo[b]fluorene-11,2'-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[benzo[b]fluorene-11,2'-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,9,11,13-heptaene]-5'-ylpyrimidine (PubChem CID 134258345) has the molecular formula C51H32N4 and a molecular weight of 700.85 g/mol. Its IUPAC name is 2-phenyl-4-(6-pyridin-3-yl-3-pyridinyl)-6-spiro[benzo[b]fluorene-11,2'-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[benzo[b]fluorene-11,2'-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,9,11,13-heptaene]-5'-ylpyrimidine
• PubChem CID: 134258345
• Molecular Formula: C51H32N4
• Molecular Weight: 700.85 g/mol
• Exact Mass: 700.26
• IUPAC Name: 2-phenyl-4-(6-pyridin-3-yl-3-pyridinyl)-6-spiro[benzo[b]fluorene-11,2'-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-c1cc3ccccc3cc12
• InChI: InChI=1S/C51H32N4/c1-2-12-35(13-3-1)50-54-48(30-49(55-50)40-24-25-47(53-32-40)39-16-10-26-52-31-39)38-23-22-34-21-20-33-11-6-8-18-43(33)51(45(34)29-38)44-19-9-7-17-41(44)42-27-36-14-4-5-15-37(36)28-46(42)51/h1-32H
• InChIKey: KWNLIQZHVQFCKG-UHFFFAOYSA-N
• XLogP: 11.93
• TPSA: 51.56 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 4
• Heavy Atoms: 55
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	700.85
LogP ≤ 5	11.93
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 2-phenyl-4-(6-pyridin-3-yl-3-pyridinyl)-6-spiro[benzo[b]fluorene-11,2'-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[benzo[b]fluorene-11,2'-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,9,11,13-heptaene]-5'-ylpyrimidine (CID 134258345) is 2-phenyl-4-(6-pyridin-3-yl-3-pyridinyl)-6-spiro[benzo[b]fluorene-11,2'-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[benzo[b]fluorene-11,2'-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[benzo[b]fluorene-11,2'-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-c1cc3ccccc3cc12.

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

The InChIKey is KWNLIQZHVQFCKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H32N4/c1-2-12-35(13-3-1)50-54-48(30-49(55-50)40-24-25-47(53-32-40)39-16-10-26-52-31-39)38-23-22-34-21-20-33-11-6-8-18-43(33)51(45(34)29-38)44-19-9-7-17-41(44)42-27-36-14-4-5-15-37(36)28-46(42)51/h1-32H.

What are the key properties of 2-phenyl-4-(6-pyridin-3-yl-3-pyridinyl)-6-spiro[benzo[b]fluorene-11,2'-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[benzo[b]fluorene-11,2'-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,9,11,13-heptaene]-5'-ylpyrimidine has a molecular weight of 700.85 g/mol, XLogP of 11.93, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2-phenyl-4-(6-pyridin-3-yl-3-pyridinyl)-6-spiro[benzo[b]fluorene-11,2'-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,9,11,13-heptaene]-5'-ylpyrimidine is sourced from PubChem (CID 134258345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).