5-[9,10-bis(9,9'-spirobi[fluorene]-2-yl)anthracen-2-yl]-2-pyridin-3-ylpyridine

C74H44N2 — CID 90361785

About 5-[9,10-bis(9,9'-spirobi[fluorene]-2-yl)anthracen-2-yl]-2-pyridin-3-ylpyridine

5-[9,10-bis(9,9'-spirobi[fluorene]-2-yl)anthracen-2-yl]-2-pyridin-3-ylpyridine (PubChem CID 90361785) has the molecular formula C74H44N2 and a molecular weight of 961.18 g/mol. Its IUPAC name is 5-[9,10-bis(9,9'-spirobi[fluorene]-2-yl)anthracen-2-yl]-2-pyridin-3-ylpyridine.

Molecular Properties

• Compound Name: 5-[9,10-bis(9,9'-spirobi[fluorene]-2-yl)anthracen-2-yl]-2-pyridin-3-ylpyridine
• PubChem CID: 90361785
• Molecular Formula: C74H44N2
• Molecular Weight: 961.18 g/mol
• Exact Mass: 960.35
• IUPAC Name: 5-[9,10-bis(9,9'-spirobi[fluorene]-2-yl)anthracen-2-yl]-2-pyridin-3-ylpyridine
• SMILES: c1cncc(-c2ccc(-c3ccc4c(-c5ccc6c(c5)C5(c7ccccc7-c7ccccc75)c5ccccc5-6)c5ccccc5c(-c5ccc6c(c5)C5(c7ccccc7-c7ccccc75)c5ccccc5-6)c4c3)cn2)c1
• InChI: InChI=1S/C74H44N2/c1-2-24-59-58(23-1)71(46-32-35-56-54-21-7-13-29-66(54)73(68(56)41-46)62-25-9-3-17-50(62)51-18-4-10-26-63(51)73)60-37-31-45(48-34-38-70(76-44-48)49-16-15-39-75-43-49)40-61(60)72(59)47-33-36-57-55-22-8-14-30-67(55)74(69(57)42-47)64-27-11-5-19-52(64)53-20-6-12-28-65(53)74/h1-44H
• InChIKey: FKADTMXHMLFTLY-UHFFFAOYSA-N
• XLogP: 18.14
• TPSA: 25.78 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 4
• Heavy Atoms: 76
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	961.18
LogP ≤ 5	18.14
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 5-[9,10-bis(9,9'-spirobi[fluorene]-2-yl)anthracen-2-yl]-2-pyridin-3-ylpyridine?

The IUPAC name of 5-[9,10-bis(9,9'-spirobi[fluorene]-2-yl)anthracen-2-yl]-2-pyridin-3-ylpyridine (CID 90361785) is 5-[9,10-bis(9,9'-spirobi[fluorene]-2-yl)anthracen-2-yl]-2-pyridin-3-ylpyridine.

What is the SMILES notation for 5-[9,10-bis(9,9'-spirobi[fluorene]-2-yl)anthracen-2-yl]-2-pyridin-3-ylpyridine?

The canonical SMILES for 5-[9,10-bis(9,9'-spirobi[fluorene]-2-yl)anthracen-2-yl]-2-pyridin-3-ylpyridine is c1cncc(-c2ccc(-c3ccc4c(-c5ccc6c(c5)C5(c7ccccc7-c7ccccc75)c5ccccc5-6)c5ccccc5c(-c5ccc6c(c5)C5(c7ccccc7-c7ccccc75)c5ccccc5-6)c4c3)cn2)c1.

What is the InChIKey of 5-[9,10-bis(9,9'-spirobi[fluorene]-2-yl)anthracen-2-yl]-2-pyridin-3-ylpyridine?

The InChIKey is FKADTMXHMLFTLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C74H44N2/c1-2-24-59-58(23-1)71(46-32-35-56-54-21-7-13-29-66(54)73(68(56)41-46)62-25-9-3-17-50(62)51-18-4-10-26-63(51)73)60-37-31-45(48-34-38-70(76-44-48)49-16-15-39-75-43-49)40-61(60)72(59)47-33-36-57-55-22-8-14-30-67(55)74(69(57)42-47)64-27-11-5-19-52(64)53-20-6-12-28-65(53)74/h1-44H.

What are the key properties of 5-[9,10-bis(9,9'-spirobi[fluorene]-2-yl)anthracen-2-yl]-2-pyridin-3-ylpyridine?

5-[9,10-bis(9,9'-spirobi[fluorene]-2-yl)anthracen-2-yl]-2-pyridin-3-ylpyridine has a molecular weight of 961.18 g/mol, XLogP of 18.14, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[9,10-bis(9,9'-spirobi[fluorene]-2-yl)anthracen-2-yl]-2-pyridin-3-ylpyridine is sourced from PubChem (CID 90361785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).