7-[7-(9,9-diphenylfluoren-4-yl)phenanthren-2-yl]-4-phenyl-2-pyridin-2-ylquinoline

C59H38N2 — CID 129302458

About 7-[7-(9,9-diphenylfluoren-4-yl)phenanthren-2-yl]-4-phenyl-2-pyridin-2-ylquinoline

7-[7-(9,9-diphenylfluoren-4-yl)phenanthren-2-yl]-4-phenyl-2-pyridin-2-ylquinoline (PubChem CID 129302458) has the molecular formula C59H38N2 and a molecular weight of 774.97 g/mol. Its IUPAC name is 7-[7-(9,9-diphenylfluoren-4-yl)phenanthren-2-yl]-4-phenyl-2-pyridin-2-ylquinoline.

Molecular Properties

• Compound Name: 7-[7-(9,9-diphenylfluoren-4-yl)phenanthren-2-yl]-4-phenyl-2-pyridin-2-ylquinoline
• PubChem CID: 129302458
• Molecular Formula: C59H38N2
• Molecular Weight: 774.97 g/mol
• Exact Mass: 774.30
• IUPAC Name: 7-[7-(9,9-diphenylfluoren-4-yl)phenanthren-2-yl]-4-phenyl-2-pyridin-2-ylquinoline
• SMILES: c1ccc(-c2cc(-c3ccccn3)nc3cc(-c4ccc5c(ccc6cc(-c7cccc8c7-c7ccccc7C8(c7ccccc7)c7ccccc7)ccc65)c4)ccc23)cc1
• InChI: InChI=1S/C59H38N2/c1-4-15-39(16-5-1)52-38-57(55-25-12-13-34-60-55)61-56-37-41(29-33-50(52)56)40-28-31-47-42(35-40)26-27-43-36-44(30-32-48(43)47)49-22-14-24-54-58(49)51-21-10-11-23-53(51)59(54,45-17-6-2-7-18-45)46-19-8-3-9-20-46/h1-38H
• InChIKey: SZYSGYFYZZABMB-UHFFFAOYSA-N
• XLogP: 14.97
• TPSA: 25.78 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 6
• Heavy Atoms: 61
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	774.97
LogP ≤ 5	14.97
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 7-[7-(9,9-diphenylfluoren-4-yl)phenanthren-2-yl]-4-phenyl-2-pyridin-2-ylquinoline?

The IUPAC name of 7-[7-(9,9-diphenylfluoren-4-yl)phenanthren-2-yl]-4-phenyl-2-pyridin-2-ylquinoline (CID 129302458) is 7-[7-(9,9-diphenylfluoren-4-yl)phenanthren-2-yl]-4-phenyl-2-pyridin-2-ylquinoline.

What is the SMILES notation for 7-[7-(9,9-diphenylfluoren-4-yl)phenanthren-2-yl]-4-phenyl-2-pyridin-2-ylquinoline?

The canonical SMILES for 7-[7-(9,9-diphenylfluoren-4-yl)phenanthren-2-yl]-4-phenyl-2-pyridin-2-ylquinoline is c1ccc(-c2cc(-c3ccccn3)nc3cc(-c4ccc5c(ccc6cc(-c7cccc8c7-c7ccccc7C8(c7ccccc7)c7ccccc7)ccc65)c4)ccc23)cc1.

What is the InChIKey of 7-[7-(9,9-diphenylfluoren-4-yl)phenanthren-2-yl]-4-phenyl-2-pyridin-2-ylquinoline?

The InChIKey is SZYSGYFYZZABMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C59H38N2/c1-4-15-39(16-5-1)52-38-57(55-25-12-13-34-60-55)61-56-37-41(29-33-50(52)56)40-28-31-47-42(35-40)26-27-43-36-44(30-32-48(43)47)49-22-14-24-54-58(49)51-21-10-11-23-53(51)59(54,45-17-6-2-7-18-45)46-19-8-3-9-20-46/h1-38H.

What are the key properties of 7-[7-(9,9-diphenylfluoren-4-yl)phenanthren-2-yl]-4-phenyl-2-pyridin-2-ylquinoline?

7-[7-(9,9-diphenylfluoren-4-yl)phenanthren-2-yl]-4-phenyl-2-pyridin-2-ylquinoline has a molecular weight of 774.97 g/mol, XLogP of 14.97, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 7-[7-(9,9-diphenylfluoren-4-yl)phenanthren-2-yl]-4-phenyl-2-pyridin-2-ylquinoline is sourced from PubChem (CID 129302458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).