4-phenyl-2-pyridin-2-yl-6-[7-(9,9'-spirobi[fluorene]-2-yl)phenanthren-2-yl]quinoline

C59H36N2 — CID 135132558

About 4-phenyl-2-pyridin-2-yl-6-[7-(9,9'-spirobi[fluorene]-2-yl)phenanthren-2-yl]quinoline

4-phenyl-2-pyridin-2-yl-6-[7-(9,9'-spirobi[fluorene]-2-yl)phenanthren-2-yl]quinoline (PubChem CID 135132558) has the molecular formula C59H36N2 and a molecular weight of 772.95 g/mol. Its IUPAC name is 4-phenyl-2-pyridin-2-yl-6-[7-(9,9'-spirobi[fluorene]-2-yl)phenanthren-2-yl]quinoline.

Molecular Properties

• Compound Name: 4-phenyl-2-pyridin-2-yl-6-[7-(9,9'-spirobi[fluorene]-2-yl)phenanthren-2-yl]quinoline
• PubChem CID: 135132558
• Molecular Formula: C59H36N2
• Molecular Weight: 772.95 g/mol
• Exact Mass: 772.29
• IUPAC Name: 4-phenyl-2-pyridin-2-yl-6-[7-(9,9'-spirobi[fluorene]-2-yl)phenanthren-2-yl]quinoline
• SMILES: c1ccc(-c2cc(-c3ccccn3)nc3ccc(-c4ccc5c(ccc6cc(-c7ccc8c(c7)C7(c9ccccc9-c9ccccc97)c7ccccc7-8)ccc65)c4)cc23)cc1
• InChI: InChI=1S/C59H36N2/c1-2-12-37(13-3-1)50-36-58(57-20-10-11-31-60-57)61-56-30-26-40(34-51(50)56)38-23-27-44-42(32-38)21-22-43-33-39(24-28-45(43)44)41-25-29-49-48-16-6-9-19-54(48)59(55(49)35-41)52-17-7-4-14-46(52)47-15-5-8-18-53(47)59/h1-36H
• InChIKey: HNJQAKPOICFCFC-UHFFFAOYSA-N
• XLogP: 14.95
• TPSA: 25.78 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 4
• Heavy Atoms: 61
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	772.95
LogP ≤ 5	14.95
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 4-phenyl-2-pyridin-2-yl-6-[7-(9,9'-spirobi[fluorene]-2-yl)phenanthren-2-yl]quinoline?

The IUPAC name of 4-phenyl-2-pyridin-2-yl-6-[7-(9,9'-spirobi[fluorene]-2-yl)phenanthren-2-yl]quinoline (CID 135132558) is 4-phenyl-2-pyridin-2-yl-6-[7-(9,9'-spirobi[fluorene]-2-yl)phenanthren-2-yl]quinoline.

What is the SMILES notation for 4-phenyl-2-pyridin-2-yl-6-[7-(9,9'-spirobi[fluorene]-2-yl)phenanthren-2-yl]quinoline?

The canonical SMILES for 4-phenyl-2-pyridin-2-yl-6-[7-(9,9'-spirobi[fluorene]-2-yl)phenanthren-2-yl]quinoline is c1ccc(-c2cc(-c3ccccn3)nc3ccc(-c4ccc5c(ccc6cc(-c7ccc8c(c7)C7(c9ccccc9-c9ccccc97)c7ccccc7-8)ccc65)c4)cc23)cc1.

What is the InChIKey of 4-phenyl-2-pyridin-2-yl-6-[7-(9,9'-spirobi[fluorene]-2-yl)phenanthren-2-yl]quinoline?

The InChIKey is HNJQAKPOICFCFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C59H36N2/c1-2-12-37(13-3-1)50-36-58(57-20-10-11-31-60-57)61-56-30-26-40(34-51(50)56)38-23-27-44-42(32-38)21-22-43-33-39(24-28-45(43)44)41-25-29-49-48-16-6-9-19-54(48)59(55(49)35-41)52-17-7-4-14-46(52)47-15-5-8-18-53(47)59/h1-36H.

What are the key properties of 4-phenyl-2-pyridin-2-yl-6-[7-(9,9'-spirobi[fluorene]-2-yl)phenanthren-2-yl]quinoline?

4-phenyl-2-pyridin-2-yl-6-[7-(9,9'-spirobi[fluorene]-2-yl)phenanthren-2-yl]quinoline has a molecular weight of 772.95 g/mol, XLogP of 14.95, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 4-phenyl-2-pyridin-2-yl-6-[7-(9,9'-spirobi[fluorene]-2-yl)phenanthren-2-yl]quinoline is sourced from PubChem (CID 135132558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).