4-[4-[9,10-di(spiro[cyclopentane-1,9'-fluorene]-2'-yl)anthracen-2-yl]phenyl]pyridine

C59H45N — CID 90361579

About 4-[4-[9,10-di(spiro[cyclopentane-1,9'-fluorene]-2'-yl)anthracen-2-yl]phenyl]pyridine

4-[4-[9,10-di(spiro[cyclopentane-1,9'-fluorene]-2'-yl)anthracen-2-yl]phenyl]pyridine (PubChem CID 90361579) has the molecular formula C59H45N and a molecular weight of 768.02 g/mol. Its IUPAC name is 4-[4-[9,10-di(spiro[cyclopentane-1,9'-fluorene]-2'-yl)anthracen-2-yl]phenyl]pyridine.

Molecular Properties

• Compound Name: 4-[4-[9,10-di(spiro[cyclopentane-1,9'-fluorene]-2'-yl)anthracen-2-yl]phenyl]pyridine
• PubChem CID: 90361579
• Molecular Formula: C59H45N
• Molecular Weight: 768.02 g/mol
• Exact Mass: 767.36
• IUPAC Name: 4-[4-[9,10-di(spiro[cyclopentane-1,9'-fluorene]-2'-yl)anthracen-2-yl]phenyl]pyridine
• SMILES: c1ccc2c(c1)-c1ccc(-c3c4ccccc4c(-c4ccc5c(c4)C4(CCCC4)c4ccccc4-5)c4cc(-c5ccc(-c6ccncc6)cc5)ccc34)cc1C21CCCC1
• InChI: InChI=1S/C59H45N/c1-2-14-49-48(13-1)56(42-22-24-46-44-11-3-5-15-52(44)58(54(46)36-42)29-7-8-30-58)50-26-21-41(39-19-17-38(18-20-39)40-27-33-60-34-28-40)35-51(50)57(49)43-23-25-47-45-12-4-6-16-53(45)59(55(47)37-43)31-9-10-32-59/h1-6,11-28,33-37H,7-10,29-32H2
• InChIKey: QFMWICQIYBFGMO-UHFFFAOYSA-N
• XLogP: 15.74
• TPSA: 12.89 Ų
• H-Bond Acceptors: 1
• Rotatable Bonds: 4
• Heavy Atoms: 60
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	768.02
LogP ≤ 5	15.74
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	1

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 4-[4-[9,10-di(spiro[cyclopentane-1,9'-fluorene]-2'-yl)anthracen-2-yl]phenyl]pyridine?

The IUPAC name of 4-[4-[9,10-di(spiro[cyclopentane-1,9'-fluorene]-2'-yl)anthracen-2-yl]phenyl]pyridine (CID 90361579) is 4-[4-[9,10-di(spiro[cyclopentane-1,9'-fluorene]-2'-yl)anthracen-2-yl]phenyl]pyridine.

What is the SMILES notation for 4-[4-[9,10-di(spiro[cyclopentane-1,9'-fluorene]-2'-yl)anthracen-2-yl]phenyl]pyridine?

The canonical SMILES for 4-[4-[9,10-di(spiro[cyclopentane-1,9'-fluorene]-2'-yl)anthracen-2-yl]phenyl]pyridine is c1ccc2c(c1)-c1ccc(-c3c4ccccc4c(-c4ccc5c(c4)C4(CCCC4)c4ccccc4-5)c4cc(-c5ccc(-c6ccncc6)cc5)ccc34)cc1C21CCCC1.

What is the InChIKey of 4-[4-[9,10-di(spiro[cyclopentane-1,9'-fluorene]-2'-yl)anthracen-2-yl]phenyl]pyridine?

The InChIKey is QFMWICQIYBFGMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C59H45N/c1-2-14-49-48(13-1)56(42-22-24-46-44-11-3-5-15-52(44)58(54(46)36-42)29-7-8-30-58)50-26-21-41(39-19-17-38(18-20-39)40-27-33-60-34-28-40)35-51(50)57(49)43-23-25-47-45-12-4-6-16-53(45)59(55(47)37-43)31-9-10-32-59/h1-6,11-28,33-37H,7-10,29-32H2.

What are the key properties of 4-[4-[9,10-di(spiro[cyclopentane-1,9'-fluorene]-2'-yl)anthracen-2-yl]phenyl]pyridine?

4-[4-[9,10-di(spiro[cyclopentane-1,9'-fluorene]-2'-yl)anthracen-2-yl]phenyl]pyridine has a molecular weight of 768.02 g/mol, XLogP of 15.74, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[4-[9,10-di(spiro[cyclopentane-1,9'-fluorene]-2'-yl)anthracen-2-yl]phenyl]pyridine is sourced from PubChem (CID 90361579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).